0 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.1 CC1=CCN(CC1)CC=O 2230a_100000693516_200015260668 [0,0,0,0,0,0|1,0,3]=4 10 B10R1.1 CC1=CCN(CC1)CC=O 269982a_100000693516_200015260668 [0,0,0,0,0,0|1,0,3]=4 11 B10R1.1 CC1=CCN(CC1)CC=O 34a_100000693516_200009817547 [0,0,0,0,0,0|1,0,3]=4 12 B10R1.1 CC=Cc1cc[n+](cc1)[O-] 271570a_100016259895_100000039755 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.1 CC=Cc1ccc(=O)[nH]c1 271570a_100016259895_100000212171 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.1 CC=Cc1ccc(cn1)Br 271570a_100016259895_100000686858 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.1 CC=Cc1ccc(cn1)Cl 271570a_100016259895_100011356976 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.1 CC=Cc1ccc(cn1)F 271570a_100016259895_100000744514 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.1 CC=Cc1ccc(cn1)N 271570a_100016259895_100000744251 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.1 CC=Cc1ccc(nc1)Br 271570a_100016259895_100009814638 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.1 CC=Cc1ccc(nc1)Cl 271570a_100016259895_100000034144 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 CC=Cc1ccc(nc1)F 271570a_100016259895_100000748661 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.1 CC=Cc1ccc(nc1)N 271570a_100016259895_100000187370 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.1 CC=Cc1ccc(nn1)C 271570a_100016259895_100011450037 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.1 CC=Cc1cnc(cn1)C 271570a_100016259895_100011999403 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.1 CC=Cc1cnc(nc1)C 271570a_100016259895_100000686985 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.1 CC=Cc1ncc(cn1)C 271570a_100016259895_100011825175 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [0,0,0,0,0,0|4,0,0]=4 129 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [0,0,0,0,0,0|3,0,0]=3 143 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [0,0,0,0,0,0|3,0,0]=3 147 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [0,0,0,0,0,0|4,0,0]=4 156 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [0,0,0,0,0,0|4,0,0]=4 159 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.1 CNCc1cnc(cn1)C 2230a_106832991635_100000752025 [0,0,0,0,0,0|4,0,0]=4 161 B10R1.1 CNCc1cnc(cn1)C 270004a_106832991635_100000685221 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.1 CNCc1cnc(cn1)C 34a_100132314150_200000210301 [0,0,0,0,0,0|4,0,0]=4 163 B10R1.1 CNCc1cnc(cn1)C 7a_106832991635_100000752025 [0,0,0,0,0,0|4,0,0]=4 164 B10R1.1 CNCc1cnc(nc1)C 270004a_106832991635_100011202771 [0,0,0,0,0,0|4,0,0]=4 165 B10R1.1 CNCc1ncc(cn1)C 2230a_106832991635_100000685645 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.1 CNCc1ncc(cn1)C 34a_100102657272_100000685645 [0,0,0,0,0,0|4,0,0]=4 167 B10R1.1 CNCc1ncc(cn1)C 7a_106832991635_100000685645 [0,0,0,0,0,0|4,0,0]=4 168 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [0,0,0,0,0,0|3,0,0]=3 169 B10R1.1 COCc1cc[n+](cc1)[O-] 34a_100000031831_200000210301 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.1 COCc1cc[n+](cc1)[O-] 7a_100000031831_200000210301 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [0,0,0,0,0,0|4,0,0]=4 172 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [0,0,0,0,0,0|3,0,0]=3 173 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [0,0,0,0,0,0|2,0,0]=2 175 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [0,0,0,0,0,0|2,0,0]=2 176 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [0,0,0,0,0,0|2,0,0]=2 177 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [0,0,0,0,0,0|3,0,0]=3 178 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [0,0,0,0,0,0|3,0,0]=3 179 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [0,0,0,0,0,0|3,0,0]=3 180 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [0,0,0,0,0,0|3,0,0]=3 181 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [0,0,0,0,0,0|3,0,0]=3 182 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [0,0,0,0,0,0|3,0,0]=3 183 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [0,0,0,0,0,0|3,0,0]=3 184 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [0,0,0,0,0,0|3,0,0]=3 185 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [0,0,0,0,0,0|3,0,0]=3 186 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [0,0,0,0,0,0|3,0,0]=3 187 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [0,0,0,0,0,0|3,0,0]=3 188 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [0,0,0,0,0,0|4,0,0]=4 190 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [0,0,0,0,0,0|3,0,0]=3 191 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [0,0,0,0,0,0|3,0,0]=3 192 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [0,0,0,0,0,0|4,0,0]=4 193 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [0,0,0,0,0,0|4,0,0]=4 195 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [0,0,0,0,0,0|4,0,0]=4 196 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [0,0,0,0,0,0|4,0,0]=4 197 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [0,0,0,0,0,0|4,0,0]=4 198 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [0,0,0,0,0,0|4,0,0]=4 199 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [0,0,0,0,0,0|4,0,0]=4 200 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [0,0,0,0,0,0|3,0,0]=3 201 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [0,0,0,0,0,0|4,0,0]=4 203 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [0,0,0,0,0,0|4,0,0]=4 204 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [0,0,0,0,0,0|4,0,0]=4 205 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [0,0,0,0,0,0|4,0,0]=4 206 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [0,0,0,0,0,0|4,0,0]=4 207 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [0,0,0,0,0,0|4,0,0]=4 208 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [0,0,0,0,0,0|4,0,0]=4 209 B10R1.1 COCc1cnc(nc1)C 34a_100011746891_200000210301 [0,0,0,0,0,0|4,0,0]=4 210 B10R1.1 COCc1ncc(cn1)C 34a_100138415774_100000685645 [0,0,0,0,0,0|4,0,0]=4 211 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [0,0,0,0,0,0|3,0,0]=3 212 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [0,0,0,0,0,0|3,0,0]=3 213 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [0,0,0,0,0,0|2,0,0]=2 214 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [0,0,0,0,0,0|2,0,0]=2 215 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [0,0,0,0,0,0|3,0,0]=3 216 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [0,0,0,0,0,0|3,0,0]=3 217 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [0,0,0,0,0,0|3,0,0]=3 218 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [0,0,0,0,0,0|3,0,0]=3 219 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [0,0,0,0,0,0|3,0,0]=3 220 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [0,0,0,0,0,0|3,0,0]=3 221 B10R1.1 CSCc1ccc(cn1)Br 62a_100000702658_200000210301 [0,0,0,0,0,0|4,0,0]=4 222 B10R1.1 CSCc1ccc(cn1)Br 62a_200000210301_100000702658 [0,0,0,0,0,0|4,0,0]=4 223 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [0,0,0,0,0,0|3,0,0]=3 224 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [0,0,0,0,0,0|3,0,0]=3 225 B10R1.1 CSCc1ccc(cn1)Cl 62a_100012066911_200000210301 [0,0,0,0,0,0|4,0,0]=4 226 B10R1.1 CSCc1ccc(cn1)Cl 62a_200000210301_100000697101 [0,0,0,0,0,0|4,0,0]=4 227 B10R1.1 CSCc1ccc(cn1)F 62a_100000703193_200000210301 [0,0,0,0,0,0|4,0,0]=4 228 B10R1.1 CSCc1ccc(cn1)F 62a_200000210301_100000703193 [0,0,0,0,0,0|4,0,0]=4 229 B10R1.1 CSCc1ccc(nc1)Br 62a_100009831999_200000210301 [0,0,0,0,0,0|4,0,0]=4 230 B10R1.1 CSCc1ccc(nc1)Br 62a_200000210301_100009831999 [0,0,0,0,0,0|4,0,0]=4 231 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [0,0,0,0,0,0|3,0,0]=3 232 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [0,0,0,0,0,0|3,0,0]=3 233 B10R1.1 CSCc1ccc(nc1)Cl 62a_100000735431_200000210301 [0,0,0,0,0,0|4,0,0]=4 234 B10R1.1 CSCc1ccc(nc1)Cl 62a_200000210301_100000735431 [0,0,0,0,0,0|4,0,0]=4 235 B10R1.1 CSCc1ccc(nc1)F 62a_100009820150_200000210301 [0,0,0,0,0,0|4,0,0]=4 236 B10R1.1 CSCc1ccc(nc1)F 62a_200000210301_100000099788 [0,0,0,0,0,0|4,0,0]=4 237 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [0,0,0,0,0,0|4,0,0]=4 238 B10R1.1 CSCc1cnc(cn1)C 62a_100000752025_200000210301 [0,0,0,0,0,0|4,0,0]=4 239 B10R1.1 CSCc1cnc(cn1)C 62a_200000210301_100000752025 [0,0,0,0,0,0|4,0,0]=4 240 B10R1.1 CSCc1ncc(cn1)C 62a_100000685645_200000210301 [0,0,0,0,0,0|4,0,0]=4 241 B10R1.1 CSCc1ncc(cn1)C 62a_200000210301_100000685645 [0,0,0,0,0,0|4,0,0]=4 242 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [0,0,0,0,0,0|3,0,0]=3 243 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [0,0,0,0,0,0|2,0,0]=2 244 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [0,0,0,0,0,0|2,0,0]=2 245 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [0,0,0,0,0,0|2,0,0]=2 246 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [0,0,0,0,0,0|2,0,0]=2 247 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [0,0,0,0,0,0|2,0,0]=2 248 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [0,0,0,0,0,0|2,0,0]=2 249 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [0,0,0,0,0,0|2,0,1]=3 250 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [0,0,0,0,0,0|2,0,1]=3 251 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [0,0,0,0,0,0|2,0,1]=3 252 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [0,0,0,0,0,0|2,0,1]=3 253 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [0,0,0,0,0,0|2,0,1]=3 254 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [0,0,0,0,0,0|3,0,0]=3 255 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [0,0,0,0,0,0|3,0,0]=3 256 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [0,0,0,0,0,0|3,0,0]=3 257 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [0,0,0,0,0,0|3,0,0]=3 258 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [0,0,0,0,0,0|3,0,1]=4 259 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [0,0,0,0,0,0|3,0,1]=4 260 B10R1.1 Cc1ccc(cn1)SCF 62a_100000751577_100015361967 [0,0,0,0,0,0|3,0,1]=4 261 B10R1.1 Cc1ccc(cn1)SCF 62a_100015361967_100000751577 [0,0,0,0,0,0|3,0,1]=4 262 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [0,0,0,0,0,0|3,0,0]=3 263 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [0,0,0,0,0,0|3,0,0]=3 264 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [0,0,0,0,0,0|3,0,0]=3 265 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [0,0,0,0,0,0|3,0,0]=3 266 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [0,0,0,0,0,0|3,0,1]=4 267 B10R1.1 Cc1ccc(nc1)SCF 62a_100011192072_100015361967 [0,0,0,0,0,0|3,0,1]=4 268 B10R1.1 Cc1ccc(nc1)SCF 62a_100015361967_100000754016 [0,0,0,0,0,0|3,0,1]=4 269 B10R1.1 Cc1cnc(cn1)CN[13CH3] 34a_100132314150_200025704644 [0,0,0,0,0,0|4,0,0]=4 270 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [0,0,0,0,0,0|4,0,0]=4 271 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_100000752025_200025704644 [0,0,0,0,0,0|4,0,0]=4 272 B10R1.1 Cc1cnc(cn1)CS[13CH3] 62a_200025704644_100000752025 [0,0,0,0,0,0|4,0,0]=4 273 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_100000685645_200025704644 [0,0,0,0,0,0|4,0,0]=4 274 B10R1.1 Cc1cnc(nc1)CS[13CH3] 62a_200025704644_100000685645 [0,0,0,0,0,0|4,0,0]=4 275 B10R1.1 Cc1ncc(cn1)CO[13CH3] 34a_100011746891_200025704644 [0,0,0,0,0,0|4,0,0]=4 276 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [0,0,0,0,0,0|3,0,1]=4 277 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [0,0,0,0,0,0|3,0,1]=4 278 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [0,0,0,0,0,0|3,0,1]=4 279 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [0,0,0,0,0,0|3,0,1]=4 280 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [0,0,0,0,0,0|3,0,1]=4 281 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [0,0,0,0,0,0|3,0,1]=4 282 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [0,0,0,0,0,0|3,0,1]=4 283 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [0,0,0,0,0,0|3,0,1]=4 284 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [0,0,0,0,0,0|3,0,1]=4 285 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [0,0,0,0,0,0|3,0,1]=4 286 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [0,0,0,0,0,0|3,0,1]=4 287 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [0,0,0,0,0,0|3,0,1]=4 288 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [0,0,0,0,0,0|3,0,1]=4 289 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [0,0,0,0,0,0|3,0,1]=4 290 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [0,0,0,0,0,0|3,0,1]=4 291 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [0,0,0,0,0,0|3,0,1]=4 292 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [0,0,0,0,0,0|3,0,1]=4 293 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [0,0,0,0,0,0|2,0,1]=3 294 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [0,0,0,0,0,0|3,0,1]=4 295 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [0,0,0,0,0,0|3,0,1]=4 296 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [0,0,0,0,0,0|3,0,1]=4 297 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [0,0,0,0,0,0|2,0,1]=3 298 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [0,0,0,0,0,0|3,0,0]=3 299 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [0,0,0,0,0,0|4,0,0]=4 300 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [0,0,0,0,0,0|3,0,1]=4 301 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [0,0,0,0,0,0|3,0,1]=4 302 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [0,0,0,0,0,0|3,0,1]=4 303 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [0,0,0,0,0,0|1,0,0]=1 304 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [0,0,0,0,0,0|1,0,2]=3 305 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [0,0,0,0,0,0|2,0,2]=4 306 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [0,0,0,0,0,0|2,0,2]=4 307 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [0,0,0,0,0,0|2,0,1]=3 308 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [0,0,0,0,0,0|3,0,1]=4 309 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [0,0,0,0,0,0|3,0,1]=4 310 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [0,0,0,0,0,0|3,0,0]=3 311 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [0,0,0,0,0,0|3,0,0]=3 312 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [0,0,0,0,0,0|3,0,0]=3 313 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [0,0,0,0,0,0|3,0,0]=3 314 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [0,0,0,0,0,0|3,0,0]=3 315 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [0,0,0,0,0,0|3,0,0]=3 316 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [0,0,0,0,0,0|3,0,0]=3 317 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [0,0,0,0,0,0|3,0,0]=3 318 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [0,0,0,0,0,0|3,0,0]=3 319 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [0,0,0,0,0,0|4,0,0]=4 320 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [0,0,0,0,0,0|4,0,0]=4 321 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [0,0,0,0,0,0|4,0,0]=4 322 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [0,0,0,0,0,0|4,0,0]=4 323 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [0,0,0,0,0,0|4,0,0]=4 324 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [0,0,0,0,0,0|4,0,0]=4 325 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [0,0,0,0,0,0|4,0,0]=4 326 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [0,0,0,0,0,0|4,0,0]=4 327 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [0,0,0,0,0,0|4,0,0]=4 328 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [0,0,0,0,0,0|4,0,0]=4 329 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 34a_100000031831_200025704644 [0,0,0,0,0,0|4,0,0]=4 330 B10R1.1 [13CH3]OCc1cc[n+](cc1)[O-] 7a_100000031831_200025704644 [0,0,0,0,0,0|4,0,0]=4 331 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [0,0,0,0,0,0|4,0,0]=4 332 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [0,0,0,0,0,0|3,0,0]=3 333 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [0,0,0,0,0,0|3,0,0]=3 334 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [0,0,0,0,0,0|3,0,0]=3 335 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [0,0,0,0,0,0|3,0,0]=3 336 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [0,0,0,0,0,0|3,0,0]=3 337 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [0,0,0,0,0,0|3,0,0]=3 338 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [0,0,0,0,0,0|3,0,0]=3 339 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [0,0,0,0,0,0|3,0,0]=3 340 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [0,0,0,0,0,0|4,0,0]=4 341 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [0,0,0,0,0,0|4,0,0]=4 342 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [0,0,0,0,0,0|4,0,0]=4 343 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [0,0,0,0,0,0|4,0,0]=4 344 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [0,0,0,0,0,0|4,0,0]=4 345 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [0,0,0,0,0,0|4,0,0]=4 346 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [0,0,0,0,0,0|4,0,0]=4 347 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [0,0,0,0,0,0|4,0,0]=4 348 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [0,0,0,0,0,0|4,0,0]=4 349 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [0,0,0,0,0,0|4,0,0]=4 350 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [0,0,0,0,0,0|3,0,0]=3 351 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [0,0,0,0,0,0|3,0,0]=3 352 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [0,0,0,0,0,0|3,0,0]=3 353 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [0,0,0,0,0,0|3,0,0]=3 354 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [0,0,0,0,0,0|3,0,0]=3 355 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [0,0,0,0,0,0|3,0,0]=3 356 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [0,0,0,0,0,0|3,0,0]=3 357 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [0,0,0,0,0,0|3,0,0]=3 358 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_100000702658_200025704644 [0,0,0,0,0,0|4,0,0]=4 359 B10R1.1 [13CH3]SCc1ccc(cn1)Br 62a_200025704644_100000702658 [0,0,0,0,0,0|4,0,0]=4 360 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_100012066911_200025704644 [0,0,0,0,0,0|4,0,0]=4 361 B10R1.1 [13CH3]SCc1ccc(cn1)Cl 62a_200025704644_100000697101 [0,0,0,0,0,0|4,0,0]=4 362 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_100000703193_200025704644 [0,0,0,0,0,0|4,0,0]=4 363 B10R1.1 [13CH3]SCc1ccc(cn1)F 62a_200025704644_100000703193 [0,0,0,0,0,0|4,0,0]=4 364 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_100009831999_200025704644 [0,0,0,0,0,0|4,0,0]=4 365 B10R1.1 [13CH3]SCc1ccc(nc1)Br 62a_200025704644_100009831999 [0,0,0,0,0,0|4,0,0]=4 366 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_100000735431_200025704644 [0,0,0,0,0,0|4,0,0]=4 367 B10R1.1 [13CH3]SCc1ccc(nc1)Cl 62a_200025704644_100000735431 [0,0,0,0,0,0|4,0,0]=4 368 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_100009820150_200025704644 [0,0,0,0,0,0|4,0,0]=4 369 B10R1.1 [13CH3]SCc1ccc(nc1)F 62a_200025704644_100000099788 [0,0,0,0,0,0|4,0,0]=4 370 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [0,0,0,0,0,0|4,0,0]=4 371 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [1,0,0,0,0,0|2,0,1]=4 372 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,0,0,0,0,0|2,0,1]=4 373 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,0,0,0,0,0|1,0,1]=3 374 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,0,0,0,0,0|0,0,1]=2 375 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,0,0,0,0,0|1,0,1]=3 376 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,0,0,0,0,0|1,0,1]=3 377 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,0,0,0,0,0|1,0,1]=3 378 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,0,0,0,0,0|1,0,1]=3 379 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,0,0,0,0,0|2,0,1]=4 380 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,0,0,0,0,0|1,0,1]=3 381 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,0,0,0,0,0|2,0,1]=4 382 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,0,0,0,0,0|2,0,1]=4 383 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,0,0,0,0,0|2,0,1]=4 384 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,0,0,0,0,0|2,0,1]=4 385 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,0,0,0,0,0|2,0,1]=4 386 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,0,0,0,0,0|1,0,1]=3 387 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,0,0,0,0,0|2,0,1]=4 388 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,0,0,0,0,0|2,0,1]=4 389 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,0,0,0,0,0|2,0,1]=4 390 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [1,0,0,0,0,0|2,0,1]=4 391 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [1,0,0,0,0,0|2,0,1]=4 392 B9R1.1 C=Cc1cnc(nc1)C 271570a_100011290941_100000686985 [1,0,0,0,0,0|2,0,1]=4 393 B9R1.1 C=Cc1ncc(cn1)C 271570a_100011290941_100011825175 [1,0,0,0,0,0|2,0,1]=4 394 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,0,0,0,0,0|1,0,1]=3 395 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,0,0,0,0,0|2,0,1]=4 396 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,0,0,0,0,0|2,0,1]=4 397 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,0,0,0,0,0|2,0,1]=4 398 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,0,0,0,0,0|2,0,1]=4 399 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,0,0,0,0,0|1,0,1]=3 400 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,0,0,0,0,0|2,0,1]=4 401 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,0,0,0,0,0|2,0,1]=4 402 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,0,0,0,0,0|2,0,1]=4 403 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,0,0,0,0,0|2,0,1]=4 404 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,0,0,0,0,0|2,0,1]=4 405 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,0,0,0,0,0|1,0,1]=3 409 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,0,0,0,0,0|1,0,1]=3 410 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,0,0,0,0,0|2,0,1]=4 411 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,0,0,0,0,0|2,0,1]=4 412 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,0,0,0,0,0|2,0,1]=4 413 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,0,0,0,0,0|2,0,1]=4 414 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,0,0,0,0,0|2,0,1]=4 415 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,0,0,0,0,0|2,0,1]=4 416 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,0,0,0,0,0|2,0,1]=4 417 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [1,0,0,0,0,0|2,0,1]=4 418 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [1,0,0,0,0,0|2,0,1]=4 419 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [1,0,0,0,0,0|2,0,1]=4 420 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,0,0,0,0,0|2,0,1]=4 421 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,0,0,0,0,0|2,0,1]=4 422 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,0,0,0,0,0|1,0,1]=3 423 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,0,0,0,0,0|1,0,1]=3 424 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,0,0,0,0,0|2,0,1]=4 425 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,0,0,0,0,0|2,0,1]=4 426 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,0,0,0,0,0|2,0,1]=4 427 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,0,0,0,0,0|2,0,1]=4 428 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,0,0,0,0,0|2,0,1]=4 429 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,0,0,0,0,0|2,0,1]=4 430 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,0,0,0,0,0|2,0,1]=4 431 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,0,0,0,0,0|2,0,1]=4 432 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [1,0,0,0,0,0|2,0,1]=4 433 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [1,0,0,0,0,0|2,0,1]=4 434 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [1,0,0,0,0,0|2,0,1]=4 435 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [1,0,0,0,0,0|2,0,1]=4 436 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,0,0,0,0,0|1,0,1]=3 437 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,0,0,0,0,0|1,0,1]=3 438 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,0,0,0,0,0|1,0,1]=3 439 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,0,0,0,0,0|1,0,1]=3 440 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,0,0,0,0,0|1,0,1]=3 441 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [1,0,0,0,0,0|2,0,1]=4 442 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [1,0,0,0,0,0|2,0,1]=4 443 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [1,0,0,0,0,0|2,0,1]=4 444 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [1,0,0,0,0,0|2,0,1]=4 445 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [1,0,0,0,0,0|2,0,1]=4 446 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [1,0,0,0,0,0|2,0,1]=4 447 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [1,0,0,0,0,0|2,0,1]=4 448 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,0,0,0,0,0|2,0,1]=4 449 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,0,0,0,0,0|2,0,0]=3 450 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [1,0,0,0,0,0|3,0,0]=4 451 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [1,0,0,0,0,0|3,0,0]=4 452 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,0,0,0,0,0|3,0,0]=4 453 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,0,0,0,0,0|1,0,0]=2 454 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,0,0,0,0,0|2,0,0]=3 455 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,0,0,0,0,0|2,0,0]=3 456 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,0,0,0,0,0|3,0,0]=4 457 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,0,0,0,0,0|3,0,0]=4 459 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,0,0,0,0,0|1,0,1]=3 460 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [1,0,0,0,0,0|2,0,1]=4 461 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [1,0,0,0,0,0|2,0,1]=4 462 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,0,0,0,0,0|2,0,0]=3 463 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,0,0,0,0,0|2,0,1]=4 464 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,0,0,0,0,0|2,0,1]=4 465 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,0,0,0,0,0|2,0,1]=4 466 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,0,0,0,0,0|2,0,1]=4 467 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,0,0,0,0,0|2,0,1]=4 468 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,0,0,0,0,0|2,0,1]=4 469 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,0,0,0,0,0|2,0,1]=4 470 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,0,0,0,0,0|2,0,1]=4 471 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,0,0,0,0,0|2,0,1]=4 472 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,0,0,0,0,0|2,0,1]=4 473 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,0,0,0,0,0|2,0,1]=4 474 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,0,0,0,0,0|2,0,1]=4 475 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,0,0,0,0,0|2,0,1]=4 476 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,0,0,0,0,0|2,0,1]=4 477 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,0,0,0,0,0|2,0,1]=4 478 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,0,0,0,0,0|2,0,1]=4 479 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,0,0,0,0,0|2,0,1]=4 480 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,0,0,0,0,0|2,0,1]=4 481 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,0,0,0,0,0|2,0,1]=4 482 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,0,0,0,0,0|2,0,1]=4 483 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,0,0,0,0,0|2,0,1]=4 484 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,0,0,0,0,0|2,0,1]=4 485 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,0,0,0,0,0|2,0,1]=4 486 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,0,0,0,0,0|2,0,1]=4 487 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 488 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,1]=3 489 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 490 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,0|2,0,1]=4 491 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,0|2,0,1]=4 492 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,1]=4 493 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 494 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,1]=4 495 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,1]=4 496 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,1]=4 497 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|2,0,0]=3 498 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 499 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|2,0,0]=3 500 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|2,0,0]=3 501 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|2,0,0]=3 502 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|2,0,0]=3 503 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|2,0,0]=3 504 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|3,0,0]=4 505 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 506 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|3,0,0]=4 507 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|3,0,0]=4 508 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|3,0,0]=4 509 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|3,0,0]=4 510 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 511 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|3,0,0]=4 512 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|3,0,0]=4 513 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|3,0,0]=4 514 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|3,0,0]=4 515 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 516 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|3,0,0]=4 517 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 518 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 519 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 520 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 521 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 522 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 523 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 524 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 525 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 526 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 528 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 529 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 530 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,1]=4 531 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 532 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,1]=4 533 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,1]=4 534 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,1]=4 535 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 536 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|2,0,0]=3 537 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 538 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 539 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 540 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 541 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 542 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 543 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 544 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 545 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 546 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 547 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|1,0,1]=3 550 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|1,0,1]=3 558 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|1,0,1]=3 559 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.1 C#CCOc1ccc(cn1)C 34a_100000759353_100000184674 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.1 C#CCOc1ccc(nc1)C 34a_100000745506_100000184674 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.1 C#CCOc1ccc(nc1)C 7a_100000745506_100000038162 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|1,0,1]=3 570 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.1 C#CCSc1ccc(cn1)C 62a_100000038162_100000754016 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.1 C#CCSc1ccc(nc1)C 62a_100000038162_100000751577 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.1 C=CCNc1ccc(cn1)Br 27a_100020586998_100000686858 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.1 C=CCNc1ccc(nn1)C 27a_100020586998_100000744512 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.1 C=CCNc1cnc(cn1)C 27a_100020586998_100000074397 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.1 C=CCNc1ncc(cn1)C 27a_100020586998_100000061069 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|2,0,0]=3 590 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.1 C=CCOc1cnc(nc1)C 34a_100000062939_100015514636 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.1 C=CCOc1cnc(nc1)C 7a_100000062939_100015514636 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.1 C=CCSc1cc[n+](cc1)[O-] 62a_100000210623_100000039755 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|1,0,0]=2 624 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|1,0,0]=2 625 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000210623_100000686858 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.1 C=CCSc1ccc(cn1)Br 62a_100000686858_100000210623 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100000210623_100011356976 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.1 C=CCSc1ccc(cn1)Cl 62a_100011356976_100000210623 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000210623_100000744514 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.1 C=CCSc1ccc(cn1)F 62a_100000744514_100000210623 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000210623_100000737798 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.1 C=CCSc1ccc(cn1)N 62a_100000737798_100000210623 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000210623_100000744096 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.1 C=CCSc1ccc(cn1)O 62a_100000685995_100000210623 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100000210623_100009814638 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.1 C=CCSc1ccc(nc1)Br 62a_100009814638_100000210623 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000210623_100000751577 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000751577_100000210623 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000034144_100000210623 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.1 C=CCSc1ccc(nc1)Cl 62a_100000210623_100000034144 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000042367_100000210623 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.1 C=CCSc1ccc(nc1)F 62a_100000210623_100000042367 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000187370_100000210623 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.1 C=CCSc1ccc(nc1)N 62a_100000210623_100000187370 [0,1,0,0,0,0|3,0,0]=4 654 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000210623_100000744512 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.1 C=CCSc1ccc(nn1)C 62a_100000744512_100000210623 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.1 C=CCSc1cnc(cn1)C 62a_100000210623_100011999403 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.1 C=CCSc1cnc(cn1)C 62a_100011999403_100000210623 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000210623_100000686985 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.1 C=CCSc1cnc(nc1)C 62a_100000686985_100000210623 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000061069_100000210623 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.1 C=CCSc1ncc(cn1)C 62a_100000210623_100000061069 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.1 CC=NNc1ccc(cc1)Br 4a_100000735608_200000210099 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.1 CC=NNc1ccc(cc1)Cl 4a_100000683521_200000210099 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.1 CC=NNc1ccc(cc1)F 4a_100000728448_200000210099 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.1 CC=NNc1ccc(cc1)I 4a_100016988836_200000210099 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.1 CC=NNc1ccc(cn1)C 4a_100000746693_200000210099 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.1 CC=NNc1ccc(nc1)C 4a_100020639869_200000210099 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|2,0,1]=4 670 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|1,0,1]=3 671 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|2,0,1]=4 672 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|2,0,1]=4 673 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|2,0,1]=4 674 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|2,0,1]=4 675 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|2,0,1]=4 676 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|1,0,1]=3 681 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|2,0,1]=4 686 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|2,0,1]=4 687 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|2,0,1]=4 688 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|1,0,1]=3 689 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|1,0,1]=3 690 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|2,0,1]=4 692 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|2,0,1]=4 694 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|2,0,1]=4 695 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.1 CCCOc1ccc(cn1)C 34a_100000759353_100000210303 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.1 CCCOc1ccc(nc1)C 34a_100000745506_100000210303 [0,1,0,0,0,0|2,0,1]=4 699 B11R1.1 CCCOc1ccc(nc1)C 7a_100000745506_100000210303 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|2,0,1]=4 702 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|1,0,1]=3 704 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.1 CCCSc1ccc(cn1)C 62a_100000210303_100000754016 [0,1,0,0,0,0|2,0,1]=4 713 B11R1.1 CCCSc1ccc(cn1)C 62a_100011192072_100000210303 [0,1,0,0,0,0|2,0,1]=4 714 B11R1.1 CCCSc1ccc(nc1)C 62a_100000210303_100000751577 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.1 CCCSc1ccc(nc1)C 62a_100000751577_100000210303 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|1,0,1]=3 722 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|1,0,1]=3 723 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|1,0,1]=3 724 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|1,0,1]=3 725 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|2,0,1]=4 734 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|2,0,1]=4 735 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|2,0,1]=4 736 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|2,0,1]=4 737 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.1 CCNCc1ccc(cn1)C 207a_100015525214_100000050478 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.1 CCNCc1ccc(cn1)C 2230a_100015525214_100000691093 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.1 CCNCc1ccc(cn1)C 270004a_100015525214_100000050478 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.1 CCNCc1ccc(cn1)C 34a_100015187455_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B11R1.1 CCNCc1ccc(nc1)C 2230a_100015525214_100016987292 [0,1,0,0,0,0|2,0,1]=4 747 B11R1.1 CCNCc1ccc(nc1)C 270004a_100015525214_100000743784 [0,1,0,0,0,0|2,0,1]=4 748 B11R1.1 CCNCc1ccc(nc1)C 34a_100000740942_100000210202 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|2,0,1]=4 752 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|1,0,1]=3 754 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|1,0,1]=3 755 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|2,0,1]=4 757 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|2,0,1]=4 759 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|2,0,1]=4 760 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|2,0,1]=4 761 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|2,0,1]=4 762 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|2,0,1]=4 763 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|2,0,1]=4 765 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [0,1,0,0,0,0|2,0,1]=4 767 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [0,1,0,0,0,0|2,0,1]=4 768 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [0,1,0,0,0,0|2,0,1]=4 770 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|2,0,1]=4 772 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|1,0,1]=3 773 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|1,0,1]=3 774 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|2,0,1]=4 775 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|2,0,1]=4 776 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|2,0,1]=4 777 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|2,0,1]=4 778 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|2,0,1]=4 779 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|2,0,1]=4 780 B11R1.1 CCSCc1ccc(cn1)C 62a_100000210202_100000691093 [0,1,0,0,0,0|2,0,1]=4 781 B11R1.1 CCSCc1ccc(cn1)C 62a_100000691093_100000210202 [0,1,0,0,0,0|2,0,1]=4 782 B11R1.1 CCSCc1ccc(nc1)C 62a_100000210202_100016987292 [0,1,0,0,0,0|2,0,1]=4 783 B11R1.1 CCSCc1ccc(nc1)C 62a_100016987292_100000210202 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|1,0,1]=3 790 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|1,0,1]=3 791 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|1,0,1]=3 792 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|1,0,1]=3 793 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|1,0,1]=3 794 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|2,0,1]=4 795 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|2,0,1]=4 796 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|2,0,1]=4 797 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|2,0,1]=4 798 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|2,0,1]=4 800 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|2,0,1]=4 806 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|2,0,1]=4 807 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [0,1,0,0,0,0|1,0,2]=4 809 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|1,0,2]=4 810 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|1,0,2]=4 811 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|1,0,2]=4 812 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|0,0,2]=3 813 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|0,0,2]=3 814 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|0,0,2]=3 815 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|1,0,2]=4 816 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|1,0,2]=4 817 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|1,0,2]=4 818 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|1,0,2]=4 819 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|1,0,2]=4 820 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|1,0,2]=4 821 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|1,0,2]=4 822 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|1,0,2]=4 823 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|1,0,2]=4 824 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|1,0,2]=4 825 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [0,1,0,0,0,0|1,0,2]=4 826 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.1 COCSc1ccc(cn1)C 62a_100000766300_100000754016 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.1 COCSc1ccc(cn1)C 62a_100011192072_100000766300 [0,1,0,0,0,0|3,0,0]=4 842 B11R1.1 COCSc1ccc(nc1)C 62a_100000751577_100000766300 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.1 COCSc1ccc(nc1)C 62a_100000766300_100000751577 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|1,1,1]=4 845 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|1,1,1]=4 846 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|0,1,1]=3 847 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|0,1,1]=3 848 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|1,1,1]=4 849 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|1,1,1]=4 850 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|1,1,1]=4 851 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|1,1,1]=4 852 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|1,1,1]=4 853 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|1,1,1]=4 854 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.1 CSCOc1ccc(cn1)C 34a_100000759353_100011218213 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.1 CSCOc1ccc(nc1)C 34a_100000745506_100011218213 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.1 CSCSc1ccc(cn1)C 62a_100011192072_100011218213 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.1 CSCSc1ccc(cn1)C 62a_100011218213_100000754016 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.1 CSCSc1ccc(nc1)C 62a_100000751577_100011218213 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.1 CSCSc1ccc(nc1)C 62a_100011218213_100000751577 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.1 C[n+]1ccc(cc1)COCF 34a_100009831711_100015361967 [0,1,0,0,0,0|2,0,1]=4 886 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|1,0,1]=3 887 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|1,0,1]=3 888 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|0,0,2]=3 889 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|0,0,2]=3 890 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|0,1,1]=3 891 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|0,1,1]=3 892 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|1,0,1]=3 893 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|1,0,1]=3 894 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|1,0,1]=3 895 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|1,0,1]=3 896 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|1,0,1]=3 897 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|0,0,0]=1 898 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|1,0,1]=3 899 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|0,0,2]=3 900 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|1,0,1]=3 901 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|0,0,0]=1 902 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|0,0,0]=1 903 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|1,0,1]=3 904 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|1,0,1]=3 905 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|0,0,2]=3 906 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|0,0,2]=3 907 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|1,0,1]=3 908 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|1,0,1]=3 909 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|0,0,0]=1 910 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|0,0,0]=1 911 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|1,0,1]=3 912 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|1,0,1]=3 913 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|0,0,2]=3 914 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|0,0,2]=3 915 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [0,1,0,0,0,0|1,0,2]=4 916 B11R1.1 Cc1ccc(cn1)CNCF 34a_100000740942_100015361967 [0,1,0,0,0,0|2,0,1]=4 917 B11R1.1 Cc1ccc(cn1)COCF 34a_100011248133_100015361967 [0,1,0,0,0,0|2,0,1]=4 918 B11R1.1 Cc1ccc(cn1)CSCF 62a_100015361967_100016987292 [0,1,0,0,0,0|2,0,1]=4 919 B11R1.1 Cc1ccc(cn1)CSCF 62a_100016987292_100015361967 [0,1,0,0,0,0|2,0,1]=4 920 B11R1.1 Cc1ccc(cn1)OCC#N 7a_100000745506_100011215382 [0,1,0,0,0,0|2,0,1]=4 921 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [0,1,0,0,0,0|1,0,0]=2 922 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [0,1,0,0,0,0|1,0,0]=2 923 B11R1.1 Cc1ccc(cn1)OCCF 34a_100000745506_100011217306 [0,1,0,0,0,0|2,0,1]=4 924 B11R1.1 Cc1ccc(cn1)OCCF 7a_100000745506_100011217306 [0,1,0,0,0,0|2,0,1]=4 925 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [0,1,0,0,0,0|1,0,2]=4 926 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [0,1,0,0,0,0|1,0,2]=4 927 B11R1.1 Cc1ccc(cn1)SCC#N 62a_100000751577_100011215382 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.1 Cc1ccc(cn1)SCC#N 62a_100011215382_100000751577 [0,1,0,0,0,0|2,0,1]=4 929 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [0,1,0,0,0,0|1,0,0]=2 930 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [0,1,0,0,0,0|1,0,0]=2 931 B11R1.1 Cc1ccc(cn1)SCCF 62a_100000751577_100011217306 [0,1,0,0,0,0|2,0,1]=4 932 B11R1.1 Cc1ccc(cn1)SCCF 62a_100011217306_100000751577 [0,1,0,0,0,0|2,0,1]=4 933 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [0,1,0,0,0,0|1,0,2]=4 934 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [0,1,0,0,0,0|1,0,2]=4 935 B11R1.1 Cc1ccc(nc1)CNCF 34a_100015187455_100015361967 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.1 Cc1ccc(nc1)COCF 34a_100012001401_100015361967 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.1 Cc1ccc(nc1)CSCF 62a_100000691093_100015361967 [0,1,0,0,0,0|2,0,1]=4 938 B11R1.1 Cc1ccc(nc1)CSCF 62a_100015361967_100000691093 [0,1,0,0,0,0|2,0,1]=4 939 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [0,1,0,0,0,0|1,0,0]=2 940 B11R1.1 Cc1ccc(nc1)OCCF 34a_100000759353_100011217306 [0,1,0,0,0,0|2,0,1]=4 941 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [0,1,0,0,0,0|1,0,2]=4 942 B11R1.1 Cc1ccc(nc1)SCC#N 62a_100011192072_100011215382 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.1 Cc1ccc(nc1)SCC#N 62a_100011215382_100000754016 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [0,1,0,0,0,0|1,0,0]=2 945 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [0,1,0,0,0,0|1,0,0]=2 946 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011192072_100011217306 [0,1,0,0,0,0|2,0,1]=4 947 B11R1.1 Cc1ccc(nc1)SCCF 62a_100011217306_100000754016 [0,1,0,0,0,0|2,0,1]=4 948 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [0,1,0,0,0,0|1,0,2]=4 949 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [0,1,0,0,0,0|1,0,2]=4 950 B11R1.1 Cc1ccc(nn1)SCC=O 62a_100000744512_200015260668 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.1 Cc1ccc(nn1)SCC=O 62a_200015260668_100000744512 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.1 Cc1cnc(cn1)SCC=O 62a_100011999403_200015260668 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.1 Cc1cnc(cn1)SCC=O 62a_200015260668_100011999403 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.1 Cc1cnc(nc1)SCC=O 62a_100000061069_200015260668 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.1 Cc1cnc(nc1)SCC=O 62a_200015260668_100000061069 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.1 Cc1ncc(cn1)OCC=O 34a_100000062939_200009817547 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.1 Cc1ncc(cn1)OCC=O 7a_100000062939_200015260668 [0,1,0,0,0,0|2,0,0]=3 958 B11R1.1 Cc1ncc(cn1)SCC=O 62a_100000686985_200015260668 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.1 Cc1ncc(cn1)SCC=O 62a_200015260668_100000686985 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 961 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|2,0,1]=4 962 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|2,0,1]=4 967 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|2,0,1]=4 973 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|2,0,1]=4 974 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|2,0,1]=4 979 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|2,0,1]=4 982 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|2,0,1]=4 983 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|2,0,1]=4 984 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|2,0,1]=4 985 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|2,0,1]=4 986 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|2,0,1]=4 987 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|2,0,1]=4 988 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 989 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 990 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|2,0,1]=4 991 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|2,0,1]=4 993 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|2,0,1]=4 994 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|2,0,1]=4 995 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|2,0,1]=4 996 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|2,0,1]=4 997 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|2,0,1]=4 999 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 1001 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|2,0,1]=4 1002 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|2,0,1]=4 1003 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|2,0,1]=4 1005 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|2,0,1]=4 1006 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|2,0,1]=4 1007 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|2,0,1]=4 1008 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|2,0,1]=4 1009 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|2,0,1]=4 1010 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|2,0,1]=4 1011 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|2,0,1]=4 1012 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|2,0,1]=4 1013 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|2,0,1]=4 1014 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|2,0,1]=4 1016 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|2,0,1]=4 1017 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|2,0,1]=4 1018 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|2,0,1]=4 1019 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,0]=2 1020 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,1]=4 1021 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,2]=4 1022 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|1,0,0]=2 1023 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|1,0,0]=2 1024 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|2,0,1]=4 1025 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|2,0,1]=4 1026 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|1,0,2]=4 1027 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|1,0,2]=4 1028 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [0,1,0,0,0,0|2,0,0]=3 1029 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [0,1,0,0,0,0|2,0,0]=3 1031 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [0,1,0,0,0,0|2,0,0]=3 1032 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.1 Nc1ccc(nn1)SCC=O 62a_100010219413_200015260668 [0,1,0,0,0,0|3,0,0]=4 1036 B11R1.1 Nc1ccc(nn1)SCC=O 62a_200015260668_100010219413 [0,1,0,0,0,0|3,0,0]=4 1037 B11R1.1 Nc1cnc(cn1)SCC=O 62a_100000744751_200015260668 [0,1,0,0,0,0|3,0,0]=4 1038 B11R1.1 Nc1cnc(cn1)SCC=O 62a_200015260668_100000744751 [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.1 Nc1cnc(nc1)SCC=O 62a_100000068403_200015260668 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.1 Nc1cnc(nc1)SCC=O 62a_200015260668_100000068403 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.1 Nc1ncc(cn1)OCC=O 34a_100000087137_200009817547 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.1 Nc1ncc(cn1)OCC=O 7a_100000087137_200015260668 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.1 Nc1ncc(cn1)SCC=O 62a_100000766020_200015260668 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.1 Nc1ncc(cn1)SCC=O 62a_200015260668_100000766020 [0,1,0,0,0,0|3,0,0]=4 1045 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|1,0,0]=2 1046 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|1,0,0]=2 1047 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|1,0,0]=2 1048 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|1,0,0]=2 1049 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|1,0,0]=2 1050 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|1,0,0]=2 1051 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|1,0,0]=2 1052 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|1,0,0]=2 1053 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|1,0,0]=2 1055 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|1,0,0]=2 1056 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|1,0,0]=2 1057 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|1,0,0]=2 1058 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|1,0,0]=2 1059 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|1,0,0]=2 1060 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|1,0,0]=2 1061 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [0,1,0,0,0,0|2,0,0]=3 1063 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [0,1,0,0,0,0|2,0,0]=3 1064 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [0,1,0,0,0,0|2,0,0]=3 1065 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [0,1,0,0,0,0|2,0,0]=3 1066 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [0,1,0,0,0,0|2,0,0]=3 1067 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [0,1,0,0,0,0|2,0,0]=3 1068 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [0,1,0,0,0,0|2,0,0]=3 1071 B11R1.1 O=CCOc1cnc(cn1)Br 34a_100011934580_200009817547 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.1 O=CCOc1cnc(cn1)Cl 34a_100015839800_200009817547 [0,1,0,0,0,0|3,0,0]=4 1073 B11R1.1 O=CCOc1cnc(nc1)Br 34a_100000730009_200009817547 [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.1 O=CCOc1cnc(nc1)Br 7a_100000730009_200015260668 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.1 O=CCOc1cnc(nc1)Cl 34a_100000092845_200009817547 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.1 O=CCOc1cnc(nc1)Cl 7a_100000092845_200015260668 [0,1,0,0,0,0|3,0,0]=4 1077 B11R1.1 O=CCOc1cnc(nc1)F 34a_200009874573_200009817547 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.1 O=CCOc1cnc(nc1)F 7a_200009874573_200015260668 [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.1 O=CCOc1ncc(cn1)F 34a_100011934040_200009817547 [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [0,1,0,0,0,0|2,0,0]=3 1082 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [0,1,0,0,0,0|2,0,0]=3 1083 B11R1.1 O=CCSc1ccc(=O)[nH]n1 62a_100009820020_200015260668 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.1 O=CCSc1ccc(=O)[nH]n1 62a_200015260668_100009820020 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|1,0,0]=2 1086 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|1,0,0]=2 1087 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|1,0,0]=2 1088 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|1,0,0]=2 1089 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|1,0,0]=2 1090 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|1,0,0]=2 1091 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|1,0,0]=2 1092 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [0,1,0,0,0,0|2,0,0]=3 1093 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [0,1,0,0,0,0|2,0,0]=3 1094 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [0,1,0,0,0,0|2,0,0]=3 1095 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [0,1,0,0,0,0|2,0,0]=3 1096 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [0,1,0,0,0,0|2,0,0]=3 1097 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [0,1,0,0,0,0|2,0,0]=3 1101 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [0,1,0,0,0,0|2,0,0]=3 1103 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [0,1,0,0,0,0|2,0,0]=3 1104 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [0,1,0,0,0,0|2,0,0]=3 1106 B11R1.1 O=CCSc1ccc(nn1)Cl 62a_100000068654_200015260668 [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.1 O=CCSc1ccc(nn1)Cl 62a_200015260668_100000068654 [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.1 O=CCSc1cnc(=O)[nH]c1 62a_102495366499_200015260668 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.1 O=CCSc1cnc(=O)[nH]c1 62a_200015260668_102495366499 [0,1,0,0,0,0|3,0,0]=4 1110 B11R1.1 O=CCSc1cnc(cn1)Br 62a_100010187541_200015260668 [0,1,0,0,0,0|3,0,0]=4 1111 B11R1.1 O=CCSc1cnc(cn1)Br 62a_200015260668_100010187541 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.1 O=CCSc1cnc(cn1)Cl 62a_100010214907_200015260668 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.1 O=CCSc1cnc(cn1)Cl 62a_200015260668_100010214907 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.1 O=CCSc1cnc(cn1)F 62a_100009856528_200015260668 [0,1,0,0,0,0|3,0,0]=4 1115 B11R1.1 O=CCSc1cnc(cn1)F 62a_200015260668_100009856528 [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.1 O=CCSc1cnc(cn1)O 62a_100011934580_200015260668 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.1 O=CCSc1cnc(cn1)O 62a_200015260668_100015839800 [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.1 O=CCSc1cnc(nc1)Br 62a_200012349914_200015260668 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.1 O=CCSc1cnc(nc1)Br 62a_200015260668_200012349914 [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.1 O=CCSc1cnc(nc1)Cl 62a_100000059775_200015260668 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.1 O=CCSc1cnc(nc1)Cl 62a_200015260668_100000059775 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.1 O=CCSc1cnc(nc1)F 62a_100000685262_200015260668 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.1 O=CCSc1cnc(nc1)F 62a_200015260668_100000685262 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.1 O=CCSc1ncc(cn1)Br 62a_100000690281_200015260668 [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.1 O=CCSc1ncc(cn1)Br 62a_200015260668_100000690281 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.1 O=CCSc1ncc(cn1)Cl 62a_100011356929_200015260668 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.1 O=CCSc1ncc(cn1)Cl 62a_200015260668_100011356929 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.1 O=CCSc1ncc(cn1)F 62a_100000685220_200015260668 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.1 O=CCSc1ncc(cn1)F 62a_200015260668_100000685220 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.1 O=CCSc1ncc(cn1)O 62a_100000730009_200015260668 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.1 O=CCSc1ncc(cn1)O 62a_200015260668_100000092845 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|1,0,2]=4 1133 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|1,0,2]=4 1134 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|1,0,2]=4 1135 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|1,0,2]=4 1136 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|1,0,2]=4 1137 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|1,0,2]=4 1138 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|1,0,2]=4 1139 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|1,0,2]=4 1140 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|1,0,2]=4 1141 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|1,0,2]=4 1142 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|1,0,2]=4 1143 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|1,0,2]=4 1144 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|1,0,2]=4 1145 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|1,0,2]=4 1146 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|1,0,2]=4 1147 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|1,0,2]=4 1148 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|1,0,2]=4 1149 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|1,0,2]=4 1150 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|1,0,2]=4 1151 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|1,0,2]=4 1152 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|1,0,2]=4 1153 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|1,0,2]=4 1154 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|1,0,2]=4 1155 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|2,0,1]=4 1156 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|2,0,1]=4 1157 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|2,0,1]=4 1158 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|2,0,1]=4 1159 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|2,0,1]=4 1160 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|2,0,1]=4 1161 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1162 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1163 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|2,0,1]=4 1164 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|2,0,1]=4 1165 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|2,0,1]=4 1166 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|1,0,2]=4 1167 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|1,0,2]=4 1168 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|1,0,2]=4 1169 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|1,0,2]=4 1170 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|1,0,2]=4 1171 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|1,0,2]=4 1172 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|1,0,2]=4 1173 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|1,0,2]=4 1174 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|1,0,2]=4 1175 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|1,1,1]=4 1176 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|1,1,1]=4 1177 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|1,1,1]=4 1178 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|1,1,1]=4 1179 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|1,1,1]=4 1180 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|1,1,1]=4 1181 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|1,1,1]=4 1182 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|1,1,1]=4 1183 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,0|2,0,1]=4 1184 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,0|1,0,1]=3 1185 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,0|2,0,1]=4 1187 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,0|2,0,1]=4 1188 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [0,1,0,0,0,0|2,0,1]=4 1191 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,0|1,0,0]=2 1192 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,0|1,0,0]=2 1193 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,0|0,0,0]=1 1194 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,0|0,0,0]=1 1195 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,0|1,0,0]=2 1196 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,0|1,0,0]=2 1197 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,0|1,0,0]=2 1198 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,0|1,0,0]=2 1199 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,0|1,0,0]=2 1200 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,0|1,0,0]=2 1201 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,0|1,0,0]=2 1202 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,0|1,0,0]=2 1203 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,0|2,0,0]=3 1204 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,0|2,0,0]=3 1205 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,0|1,0,0]=2 1206 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,0|1,0,0]=2 1207 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,0|2,0,0]=3 1209 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,0|2,0,0]=3 1210 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,0|2,0,0]=3 1211 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,0|2,0,0]=3 1212 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,0|1,0,0]=2 1213 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,0|1,0,0]=2 1214 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,0|2,0,0]=3 1215 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,0|2,0,0]=3 1216 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,0|2,0,0]=3 1217 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,0|2,0,0]=3 1221 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,0|2,0,0]=3 1224 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,0|1,0,0]=2 1227 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,0|1,0,0]=2 1228 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,0|1,0,0]=2 1229 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,0|1,0,0]=2 1230 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,0|2,0,0]=3 1231 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,0|2,0,0]=3 1235 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,0|2,0,0]=3 1236 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,0|2,0,0]=3 1237 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,0|2,0,0]=3 1238 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,0|2,0,0]=3 1239 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,0|2,0,0]=3 1242 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,0|2,0,0]=3 1243 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,0|2,0,0]=3 1244 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,0|3,0,0]=4 1245 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,0|3,0,0]=4 1246 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,0|2,0,0]=3 1247 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,0|2,1,0]=4 1249 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,0,0|2,0,1]=4 1250 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1251 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,0,0|3,0,0]=4 1252 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,0,0|3,0,0]=4 1253 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,0,0|3,0,0]=4 1261 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 1262 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,0,0|3,0,0]=4 1263 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 1264 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,0,0|3,0,0]=4 1268 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,0,0|3,0,0]=4 1269 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,0,0|3,0,0]=4 1270 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,0,0|3,0,0]=4 1271 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,0,0|3,0,0]=4 1272 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1273 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,0,0|3,0,0]=4 1281 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,0,0|3,0,0]=4 1282 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,0|0,0,0]=1 1283 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,0,0|2,0,0]=3 1284 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,0,0|2,0,0]=3 1285 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,0,0|2,0,0]=3 1286 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,0,0|2,0,0]=3 1288 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,0,0|2,0,0]=3 1289 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,0,0|2,0,0]=3 1290 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,0,0|2,0,0]=3 1291 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,0,0|2,0,0]=3 1292 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [0,1,0,0,0,0|2,0,1]=4 1294 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [0,1,0,0,0,0|2,0,1]=4 1297 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,0|1,0,0]=2 1298 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [0,1,0,0,0,0|3,0,0]=4 1299 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [0,1,0,0,0,0|3,0,0]=4 1302 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [0,1,0,0,0,0|3,0,0]=4 1304 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [0,1,0,0,0,0|3,0,0]=4 1306 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [0,1,0,0,0,0|3,0,0]=4 1307 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,0|1,0,0]=2 1308 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [0,1,0,0,0,0|3,0,0]=4 1313 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,0|1,0,0]=2 1316 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,0|2,0,0]=3 1317 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,0|2,0,0]=3 1318 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,0|2,0,0]=3 1320 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,0,0|2,0,1]=4 1321 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,0,0|2,0,1]=4 1322 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,0|1,0,0]=2 1323 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,0|1,0,0]=2 1324 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,0|1,0,0]=2 1325 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,0|1,0,0]=2 1326 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,0|1,0,0]=2 1327 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,0|2,0,0]=3 1328 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,0|2,0,0]=3 1329 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,0|2,0,0]=3 1330 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,0|2,0,0]=3 1332 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,0,0|2,0,1]=4 1333 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,0,0|3,0,0]=4 1334 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,0,0|3,0,0]=4 1335 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,0,0|3,0,0]=4 1336 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,0,0|3,0,0]=4 1339 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,0,0|3,0,0]=4 1342 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,0,0|3,0,0]=4 1343 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,0,0|3,0,0]=4 1344 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,0|1,0,2]=4 1345 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,0,0|2,0,1]=4 1346 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,0,0|2,0,1]=4 1347 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,1,0,0,0,0|2,0,1]=4 1348 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,1,0,0,0,0|2,0,1]=4 1349 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,1,0,0,0,0|2,0,1]=4 1351 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,1,0,0,0,0|2,0,1]=4 1352 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,1,0,0,0,0|2,0,1]=4 1353 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,1,0,0,0,0|2,0,1]=4 1354 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,1,0,0,0,0|2,0,1]=4 1355 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,1,0,0,0,0|2,0,1]=4 1356 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,0,0|2,0,1]=4 1357 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,0|2,0,1]=4 1358 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,0|2,0,1]=4 1359 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,0|2,0,1]=4 1360 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,0|2,0,1]=4 1361 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,0,0|3,0,0]=4 1362 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,0,0|3,0,0]=4 1363 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,0,0|3,0,0]=4 1364 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,0,0|2,0,0]=3 1365 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,0,0|2,0,0]=3 1366 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,0,0|2,0,0]=3 1367 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,0,0|2,0,0]=3 1368 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,0,0|3,0,0]=4 1374 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,0,0,0,0|3,0,0]=4 1379 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,0,0|3,0,0]=4 1380 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,0,0|3,0,0]=4 1381 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,0,0|3,0,0]=4 1382 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,0,0|3,0,0]=4 1383 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,0,0|3,0,0]=4 1385 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,0,0|2,0,0]=3 1388 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,0,0|2,0,0]=3 1389 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,0,0|3,0,0]=4 1392 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,0,0|3,0,0]=4 1393 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,0,0|3,0,0]=4 1394 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,0,0|2,0,0]=3 1395 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,0,0|2,0,0]=3 1406 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,0,0|2,0,0]=3 1409 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,0,0|3,0,0]=4 1413 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,0,0|3,0,0]=4 1415 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1416 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,0,0|3,0,0]=4 1418 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,0,0|3,0,0]=4 1421 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,0|1,0,2]=4 1424 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,0,0|2,0,0]=3 1425 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,0,0|2,0,0]=3 1426 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [0,1,0,0,0,0|2,0,1]=4 1427 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [0,1,0,0,0,0|2,0,1]=4 1428 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,0,0|2,0,0]=3 1429 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,0,0|2,0,0]=3 1430 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,0,0|2,0,0]=3 1431 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,0,0|2,0,0]=3 1432 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,0,0|3,0,0]=4 1435 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,0,0|3,0,0]=4 1436 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,0,0|2,0,1]=4 1437 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,0,0|1,0,2]=4 1438 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,0,0|2,0,1]=4 1439 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,1,0,0,0,0|1,0,1]=3 1440 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,0,0|1,0,2]=4 1441 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.81 C=C=Cc1ccc(cc1Br)C 271570a_100015277604_100009813563 [0,1,0,0,0,0|1,0,2]=4 1446 B11R1.81 C=C=Cc1ccc(cc1C)C 271570a_100015277604_100011217332 [0,1,0,0,0,0|1,0,2]=4 1447 B11R1.81 C=C=Cc1ccc(cc1Cl)C 271570a_100015277604_100011263221 [0,1,0,0,0,0|1,0,2]=4 1448 B11R1.81 C=C=Cc1ccc(cc1F)C 271570a_100015277604_100011216119 [0,1,0,0,0,0|1,0,2]=4 1449 B11R1.81 C=C=Cc1ccc(cc1N)C 271570a_100015277604_100011216686 [0,1,0,0,0,0|1,0,2]=4 1450 B11R1.81 C=C=Cc1ccc(cc1O)C 271570a_100015277604_100012002257 [0,1,0,0,0,0|1,0,2]=4 1451 B11R1.81 CC=Cc1ccc(c[n+]1[O-])C 271570a_100016259895_100009819918 [0,1,0,0,0,0|2,0,1]=4 1452 B11R1.81 CC=Cc1ccc(cc1Br)Br 271570a_100016259895_100011484698 [0,1,0,0,0,0|2,0,1]=4 1453 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [0,1,0,0,0,0|1,0,1]=3 1454 B11R1.81 CC=Cc1ccc(cc1Br)Cl 271570a_100016259895_100011219703 [0,1,0,0,0,0|2,0,1]=4 1455 B11R1.81 CC=Cc1ccc(cc1Br)F 271570a_100016259895_100011217111 [0,1,0,0,0,0|2,0,1]=4 1456 B11R1.81 CC=Cc1ccc(cc1Br)N 271570a_100016259895_100000750458 [0,1,0,0,0,0|2,0,1]=4 1457 B11R1.81 CC=Cc1ccc(cc1Br)O 271570a_100016259895_100000701344 [0,1,0,0,0,0|2,0,1]=4 1458 B11R1.81 CC=Cc1ccc(cc1C)Br 271570a_100016259895_100000701812 [0,1,0,0,0,0|2,0,1]=4 1459 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [0,1,0,0,0,0|1,0,1]=3 1460 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [0,1,0,0,0,0|2,0,1]=4 1461 B11R1.81 CC=Cc1ccc(cc1C)F 271570a_100016259895_100011205405 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [0,1,0,0,0,0|2,0,1]=4 1463 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [0,1,0,0,0,0|2,0,1]=4 1464 B11R1.81 CC=Cc1ccc(cc1Cl)Br 271570a_100016259895_100011216062 [0,1,0,0,0,0|2,0,1]=4 1465 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [0,1,0,0,0,0|1,0,1]=3 1466 B11R1.81 CC=Cc1ccc(cc1Cl)Cl 271570a_100016259895_100000699841 [0,1,0,0,0,0|2,0,1]=4 1467 B11R1.81 CC=Cc1ccc(cc1Cl)F 271570a_100016259895_100000733362 [0,1,0,0,0,0|2,0,1]=4 1468 B11R1.81 CC=Cc1ccc(cc1Cl)N 271570a_100016259895_100000761885 [0,1,0,0,0,0|2,0,1]=4 1469 B11R1.81 CC=Cc1ccc(cc1Cl)O 271570a_100016259895_100000047559 [0,1,0,0,0,0|2,0,1]=4 1470 B11R1.81 CC=Cc1ccc(cc1F)Br 271570a_100016259895_100009814013 [0,1,0,0,0,0|2,0,1]=4 1471 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [0,1,0,0,0,0|1,0,1]=3 1472 B11R1.81 CC=Cc1ccc(cc1F)Cl 271570a_100016259895_100011216042 [0,1,0,0,0,0|2,0,1]=4 1473 B11R1.81 CC=Cc1ccc(cc1F)F 271570a_100016259895_100000750030 [0,1,0,0,0,0|2,0,1]=4 1474 B11R1.81 CC=Cc1ccc(cc1F)N 271570a_100016259895_100011356925 [0,1,0,0,0,0|2,0,1]=4 1475 B11R1.81 CC=Cc1ccc(cc1F)O 271570a_100016259895_100000755031 [0,1,0,0,0,0|2,0,1]=4 1476 B11R1.81 CC=Cc1ccc(cc1N)Br 271570a_100016259895_100000743836 [0,1,0,0,0,0|2,0,1]=4 1477 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [0,1,0,0,0,0|1,0,1]=3 1478 B11R1.81 CC=Cc1ccc(cc1N)Cl 271570a_100016259895_100000761886 [0,1,0,0,0,0|2,0,1]=4 1479 B11R1.81 CC=Cc1ccc(cc1N)F 271570a_100016259895_100011218093 [0,1,0,0,0,0|2,0,1]=4 1480 B11R1.81 CC=Cc1ccc(cc1N)N 271570a_100016259895_200012175722 [0,1,0,0,0,0|2,0,1]=4 1481 B11R1.81 CC=Cc1ccc(cc1N)O 271570a_100016259895_100011999798 [0,1,0,0,0,0|2,0,1]=4 1482 B11R1.81 CC=Cc1ccc(cc1O)Br 271570a_100016259895_100012344904 [0,1,0,0,0,0|2,0,1]=4 1483 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [0,1,0,0,0,0|1,0,1]=3 1484 B11R1.81 CC=Cc1ccc(cc1O)Cl 271570a_100016259895_100000050036 [0,1,0,0,0,0|2,0,1]=4 1485 B11R1.81 CC=Cc1ccc(cc1O)F 271570a_100016259895_100000690578 [0,1,0,0,0,0|2,0,1]=4 1486 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [0,1,0,0,0,0|2,0,1]=4 1487 B11R1.81 CC=Cc1ccc(nc1C)C 271570a_100016259895_100009813853 [0,1,0,0,0,0|2,0,1]=4 1488 B11R1.81 CC=Cc1ccc(nc1F)C 271570a_100016259895_100010006597 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.81 CC=Cc1ccc(nc1N)C 271570a_100016259895_100009816662 [0,1,0,0,0,0|2,0,1]=4 1490 B11R1.81 CC=Cc1ccc(nc1O)C 271570a_100016259895_100009817604 [0,1,0,0,0,0|2,0,1]=4 1491 B11R1.81 CC=Cc1cnc(cc1C)C 271570a_100016259895_100009819613 [0,1,0,0,0,0|2,0,1]=4 1492 B11R1.81 CC=Cc1cnc(cc1N)C 271570a_100016259895_100009817891 [0,1,0,0,0,0|2,0,1]=4 1493 B11R1.81 CC=Cc1cnc(cc1O)C 271570a_100016259895_100011016184 [0,1,0,0,0,0|2,0,1]=4 1494 B11R1.81 CC=Cc1ncc(cc1C)C 271570a_100016259895_100009864548 [0,1,0,0,0,0|2,0,1]=4 1495 B11R1.81 CC=Cc1ncc(cc1F)C 271570a_100016259895_100009819633 [0,1,0,0,0,0|2,0,1]=4 1496 B11R1.81 CC=Cc1ncc(cc1N)C 271570a_100016259895_100000733613 [0,1,0,0,0,0|2,0,1]=4 1497 B11R1.81 CC=Cc1ncc(cc1O)C 271570a_100016259895_100012000487 [0,1,0,0,0,0|2,0,1]=4 1498 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [0,1,0,0,0,0|2,0,1]=4 1499 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [0,1,0,0,0,0|2,0,1]=4 1500 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [0,1,0,0,0,0|2,0,1]=4 1505 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [0,1,0,0,0,0|2,0,1]=4 1506 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [0,1,0,0,0,0|2,0,1]=4 1507 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [0,1,0,0,0,0|2,0,1]=4 1508 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [0,1,0,0,0,0|2,0,1]=4 1509 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [0,1,0,0,0,0|2,0,1]=4 1510 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [0,1,0,0,0,0|2,0,1]=4 1511 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [0,1,0,0,0,0|2,0,1]=4 1512 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [0,1,0,0,0,0|2,0,1]=4 1513 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [0,1,0,0,0,0|2,0,1]=4 1514 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [0,1,0,0,0,0|2,0,1]=4 1515 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [0,1,0,0,0,0|2,0,1]=4 1516 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [0,1,0,0,0,0|2,0,1]=4 1517 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [0,1,0,0,0,0|2,0,1]=4 1518 B11R1.81 CCSc1ccc(cc1Br)C 62a_100000210202_100009813563 [0,1,0,0,0,0|2,0,1]=4 1519 B11R1.81 CCSc1ccc(cc1Br)C 62a_100009813563_100000210202 [0,1,0,0,0,0|2,0,1]=4 1520 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [0,1,0,0,0,0|2,0,1]=4 1521 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [0,1,0,0,0,0|2,0,1]=4 1522 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100000210202_100011263221 [0,1,0,0,0,0|2,0,1]=4 1523 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100011263221_100000210202 [0,1,0,0,0,0|2,0,1]=4 1524 B11R1.81 CCSc1ccc(cc1F)C 62a_100000210202_100011216119 [0,1,0,0,0,0|2,0,1]=4 1525 B11R1.81 CCSc1ccc(cc1F)C 62a_100011216119_100000210202 [0,1,0,0,0,0|2,0,1]=4 1526 B11R1.81 CCSc1ccc(cc1N)C 62a_100000210202_100011216686 [0,1,0,0,0,0|2,0,1]=4 1527 B11R1.81 CCSc1ccc(cc1N)C 62a_100011216686_100000210202 [0,1,0,0,0,0|2,0,1]=4 1528 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [0,1,0,0,0,0|2,0,1]=4 1529 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [0,1,0,0,0,0|2,0,1]=4 1530 B11R1.81 CNCc1ccc(cc1Br)Br 207a_100102657272_100012351556 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.81 CNCc1ccc(cc1Br)Br 2230a_106832991635_200012351560 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.81 CNCc1ccc(cc1Br)Br 26a_100102657272_100000188717 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.81 CNCc1ccc(cc1Br)Br 270004a_106832991635_100012351556 [0,1,0,0,0,0|3,0,0]=4 1534 B11R1.81 CNCc1ccc(cc1Br)Br 34a_100102657272_200012351560 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.81 CNCc1ccc(cc1Br)Br 7a_106832991635_200012351560 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [0,1,0,0,0,0|2,0,0]=3 1537 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [0,1,0,0,0,0|2,0,0]=3 1538 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [0,1,0,0,0,0|2,0,0]=3 1539 B11R1.81 CNCc1ccc(cc1Br)Cl 207a_100102657272_100000687667 [0,1,0,0,0,0|3,0,0]=4 1540 B11R1.81 CNCc1ccc(cc1Br)Cl 2230a_106832991635_100000755608 [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.81 CNCc1ccc(cc1Br)Cl 26a_100102657272_100000211998 [0,1,0,0,0,0|3,0,0]=4 1542 B11R1.81 CNCc1ccc(cc1Br)Cl 270004a_106832991635_100000687667 [0,1,0,0,0,0|3,0,0]=4 1543 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102657272_100000755608 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.81 CNCc1ccc(cc1Br)Cl 34a_100102692131_200000210301 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.81 CNCc1ccc(cc1Br)Cl 7a_106832991635_100000755608 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.81 CNCc1ccc(cc1Br)F 207a_100102657272_100000685661 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.81 CNCc1ccc(cc1Br)F 2230a_106832991635_100000243222 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.81 CNCc1ccc(cc1Br)F 26a_100102657272_100000211999 [0,1,0,0,0,0|3,0,0]=4 1549 B11R1.81 CNCc1ccc(cc1Br)F 270004a_106832991635_100000685661 [0,1,0,0,0,0|3,0,0]=4 1550 B11R1.81 CNCc1ccc(cc1Br)F 34a_100000708791_200000210301 [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.81 CNCc1ccc(cc1Br)F 34a_100102657272_100000243222 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.81 CNCc1ccc(cc1Br)F 7a_106832991635_100000243222 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.81 CNCc1ccc(cc1Br)I 207a_100102657272_100010185650 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.81 CNCc1ccc(cc1Br)I 2230a_106832991635_100010146610 [0,1,0,0,0,0|3,0,0]=4 1555 B11R1.81 CNCc1ccc(cc1Br)I 26a_100102657272_100012361655 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.81 CNCc1ccc(cc1Br)I 34a_100102657272_100010146610 [0,1,0,0,0,0|3,0,0]=4 1557 B11R1.81 CNCc1ccc(cc1Br)I 7a_106832991635_100010146610 [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.81 CNCc1ccc(cc1C)Br 207a_100102657272_100000687586 [0,1,0,0,0,0|3,0,0]=4 1559 B11R1.81 CNCc1ccc(cc1C)Br 2230a_106832991635_100000708836 [0,1,0,0,0,0|3,0,0]=4 1560 B11R1.81 CNCc1ccc(cc1C)Br 26a_100102657272_100000186361 [0,1,0,0,0,0|3,0,0]=4 1561 B11R1.81 CNCc1ccc(cc1C)Br 270004a_106832991635_100000687586 [0,1,0,0,0,0|3,0,0]=4 1562 B11R1.81 CNCc1ccc(cc1C)Br 34a_100000753881_200000210301 [0,1,0,0,0,0|3,0,0]=4 1563 B11R1.81 CNCc1ccc(cc1C)Br 34a_100102657272_100000708836 [0,1,0,0,0,0|3,0,0]=4 1564 B11R1.81 CNCc1ccc(cc1C)Br 7a_106832991635_100000708836 [0,1,0,0,0,0|3,0,0]=4 1565 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [0,1,0,0,0,0|2,0,0]=3 1566 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [0,1,0,0,0,0|2,0,0]=3 1567 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [0,1,0,0,0,0|2,0,0]=3 1568 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [0,1,0,0,0,0|2,0,0]=3 1569 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [0,1,0,0,0,0|2,0,0]=3 1570 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [0,1,0,0,0,0|2,0,0]=3 1571 B11R1.81 CNCc1ccc(cc1C)Cl 207a_100102657272_100000766358 [0,1,0,0,0,0|3,0,0]=4 1572 B11R1.81 CNCc1ccc(cc1C)Cl 2230a_106832991635_100012361307 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.81 CNCc1ccc(cc1C)Cl 270004a_106832991635_100000766358 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.81 CNCc1ccc(cc1C)Cl 34a_100102657272_100012361307 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.81 CNCc1ccc(cc1C)Cl 34a_103436540063_200000210301 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.81 CNCc1ccc(cc1C)Cl 7a_106832991635_100012361307 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.81 CNCc1ccc(cc1C)F 207a_100102657272_100000745986 [0,1,0,0,0,0|3,0,0]=4 1578 B11R1.81 CNCc1ccc(cc1C)F 2230a_106832991635_100000700533 [0,1,0,0,0,0|3,0,0]=4 1579 B11R1.81 CNCc1ccc(cc1C)F 270004a_106832991635_100000745986 [0,1,0,0,0,0|3,0,0]=4 1580 B11R1.81 CNCc1ccc(cc1C)F 34a_100102657272_100000700533 [0,1,0,0,0,0|3,0,0]=4 1581 B11R1.81 CNCc1ccc(cc1C)F 34a_100137329023_200000210301 [0,1,0,0,0,0|3,0,0]=4 1582 B11R1.81 CNCc1ccc(cc1C)F 7a_106832991635_100000700533 [0,1,0,0,0,0|3,0,0]=4 1583 B11R1.81 CNCc1ccc(cc1Cl)Br 207a_100102657272_100000764164 [0,1,0,0,0,0|3,0,0]=4 1584 B11R1.81 CNCc1ccc(cc1Cl)Br 2230a_106832991635_100011740631 [0,1,0,0,0,0|3,0,0]=4 1585 B11R1.81 CNCc1ccc(cc1Cl)Br 26a_100102657272_100000186472 [0,1,0,0,0,0|3,0,0]=4 1586 B11R1.81 CNCc1ccc(cc1Cl)Br 270004a_106832991635_100000764164 [0,1,0,0,0,0|3,0,0]=4 1587 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100020628970_200000210301 [0,1,0,0,0,0|3,0,0]=4 1588 B11R1.81 CNCc1ccc(cc1Cl)Br 34a_100102657272_100011740631 [0,1,0,0,0,0|3,0,0]=4 1589 B11R1.81 CNCc1ccc(cc1Cl)Br 7a_106832991635_100011740631 [0,1,0,0,0,0|3,0,0]=4 1590 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [0,1,0,0,0,0|2,0,0]=3 1591 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [0,1,0,0,0,0|2,0,0]=3 1592 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [0,1,0,0,0,0|2,0,0]=3 1593 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [0,1,0,0,0,0|2,0,0]=3 1594 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [0,1,0,0,0,0|2,0,0]=3 1595 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [0,1,0,0,0,0|2,0,0]=3 1596 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [0,1,0,0,0,0|2,0,0]=3 1597 B11R1.81 CNCc1ccc(cc1Cl)Cl 207a_100102657272_100000188887 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.81 CNCc1ccc(cc1Cl)Cl 2230a_106832991635_100000188473 [0,1,0,0,0,0|3,0,0]=4 1599 B11R1.81 CNCc1ccc(cc1Cl)Cl 26a_100102657272_100015191787 [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.81 CNCc1ccc(cc1Cl)Cl 270004a_106832991635_100000188887 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100000174880_200000210301 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.81 CNCc1ccc(cc1Cl)Cl 34a_100102657272_100000188473 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.81 CNCc1ccc(cc1Cl)Cl 7a_106832991635_100000188473 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.81 CNCc1ccc(cc1Cl)F 207a_100102657272_100000752949 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.81 CNCc1ccc(cc1Cl)F 2230a_106832991635_100011216360 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.81 CNCc1ccc(cc1Cl)F 26a_100102657272_100000212004 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.81 CNCc1ccc(cc1Cl)F 270004a_106832991635_100000752949 [0,1,0,0,0,0|3,0,0]=4 1608 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100000174946_200000210301 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.81 CNCc1ccc(cc1Cl)F 34a_100102657272_100011216360 [0,1,0,0,0,0|3,0,0]=4 1610 B11R1.81 CNCc1ccc(cc1Cl)F 7a_106832991635_100011216360 [0,1,0,0,0,0|3,0,0]=4 1611 B11R1.81 CNCc1ccc(cc1Cl)I 207a_100102657272_100000727542 [0,1,0,0,0,0|3,0,0]=4 1612 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.81 CNCc1ccc(cc1F)Br 207a_100102657272_100000211676 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.81 CNCc1ccc(cc1F)Br 2230a_106832991635_100000211606 [0,1,0,0,0,0|3,0,0]=4 1615 B11R1.81 CNCc1ccc(cc1F)Br 26a_100102657272_100000185481 [0,1,0,0,0,0|3,0,0]=4 1616 B11R1.81 CNCc1ccc(cc1F)Br 270004a_106832991635_100000211676 [0,1,0,0,0,0|3,0,0]=4 1617 B11R1.81 CNCc1ccc(cc1F)Br 34a_100000754580_200000210301 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.81 CNCc1ccc(cc1F)Br 34a_100102657272_100000211606 [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.81 CNCc1ccc(cc1F)Br 7a_106832991635_100000211606 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [0,1,0,0,0,0|2,0,0]=3 1621 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [0,1,0,0,0,0|2,0,0]=3 1622 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [0,1,0,0,0,0|2,0,0]=3 1623 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [0,1,0,0,0,0|2,0,0]=3 1624 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [0,1,0,0,0,0|2,0,0]=3 1625 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [0,1,0,0,0,0|2,0,0]=3 1626 B11R1.81 CNCc1ccc(cc1F)Cl 207a_100102657272_100000697372 [0,1,0,0,0,0|3,0,0]=4 1627 B11R1.81 CNCc1ccc(cc1F)Cl 2230a_106832991635_100000709361 [0,1,0,0,0,0|3,0,0]=4 1628 B11R1.81 CNCc1ccc(cc1F)Cl 270004a_106832991635_100000697372 [0,1,0,0,0,0|3,0,0]=4 1629 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100000708496_200000210301 [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.81 CNCc1ccc(cc1F)Cl 34a_100102657272_100000709361 [0,1,0,0,0,0|3,0,0]=4 1631 B11R1.81 CNCc1ccc(cc1F)Cl 7a_106832991635_100000709361 [0,1,0,0,0,0|3,0,0]=4 1632 B11R1.81 CNCc1ccc(cc1F)F 207a_100102657272_100000211964 [0,1,0,0,0,0|3,0,0]=4 1633 B11R1.81 CNCc1ccc(cc1F)F 2230a_106832991635_100000748237 [0,1,0,0,0,0|3,0,0]=4 1634 B11R1.81 CNCc1ccc(cc1F)F 270004a_106832991635_100000211964 [0,1,0,0,0,0|3,0,0]=4 1635 B11R1.81 CNCc1ccc(cc1F)F 34a_100000737868_200000210301 [0,1,0,0,0,0|3,0,0]=4 1636 B11R1.81 CNCc1ccc(cc1F)F 34a_100102657272_100000748237 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.81 CNCc1ccc(cc1F)F 7a_106832991635_100000748237 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.81 CNCc1ccc(cc1F)I 207a_100102657272_100000050965 [0,1,0,0,0,0|3,0,0]=4 1639 B11R1.81 CNCc1ccc(cc1F)I 2230a_106832991635_100010244991 [0,1,0,0,0,0|3,0,0]=4 1640 B11R1.81 CNCc1ccc(cc1F)I 34a_100102657272_100010244991 [0,1,0,0,0,0|3,0,0]=4 1641 B11R1.81 CNCc1ccc(cc1F)I 7a_106832991635_100010244991 [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.81 CNCc1ccc(cc1I)Br 207a_100102657272_100010146562 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.81 CNCc1ccc(cc1I)Br 2230a_106832991635_100010146615 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.81 CNCc1ccc(cc1I)Br 26a_100102657272_100012355227 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.81 CNCc1ccc(cc1I)Br 270004a_106832991635_100010146562 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.81 CNCc1ccc(cc1I)Br 34a_100102657272_100010146615 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.81 CNCc1ccc(cc1I)Br 7a_106832991635_100010146615 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [0,1,0,0,0,0|2,0,0]=3 1649 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [0,1,0,0,0,0|2,0,0]=3 1650 B11R1.81 CNCc1ccc(cc1I)Cl 2230a_106832991635_100010254388 [0,1,0,0,0,0|3,0,0]=4 1651 B11R1.81 CNCc1ccc(cc1I)Cl 34a_100102657272_100010254388 [0,1,0,0,0,0|3,0,0]=4 1652 B11R1.81 CNCc1ccc(cc1I)Cl 7a_106832991635_100010254388 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.81 CNCc1ccc(cc1I)F 207a_100102657272_100010254405 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.81 CNCc1ccc(cc1I)F 2230a_106832991635_100012354799 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.81 CNCc1ccc(cc1I)F 34a_100102657272_100012354799 [0,1,0,0,0,0|3,0,0]=4 1656 B11R1.81 CNCc1ccc(cc1I)F 7a_106832991635_100012354799 [0,1,0,0,0,0|3,0,0]=4 1657 B11R1.81 CNCc1ccc(cc1O)F 271570a_203496583355_200011192132 [0,1,0,0,0,0|3,0,0]=4 1658 B11R1.81 CNCc1ccc(nc1Br)C 2230a_106832991635_200010064658 [0,1,0,0,0,0|3,0,0]=4 1659 B11R1.81 CNCc1ccc(nc1Br)C 34a_100102657272_200010064658 [0,1,0,0,0,0|3,0,0]=4 1660 B11R1.81 CNCc1ccc(nc1Br)C 7a_106832991635_200010064658 [0,1,0,0,0,0|3,0,0]=4 1661 B11R1.81 CNCc1ccc(nc1C)C 207a_100102657272_100011794427 [0,1,0,0,0,0|3,0,0]=4 1662 B11R1.81 CNCc1ccc(nc1C)C 270004a_106832991635_100011794427 [0,1,0,0,0,0|3,0,0]=4 1663 B11R1.81 CNCc1cnc(cc1C)C 207a_100102657272_200009869383 [0,1,0,0,0,0|3,0,0]=4 1664 B11R1.81 CNCc1cnc(cc1C)C 270004a_106832991635_200009869383 [0,1,0,0,0,0|3,0,0]=4 1665 B11R1.81 CNCc1ncc(cc1C)C 2230a_106832991635_100016990036 [0,1,0,0,0,0|3,0,0]=4 1666 B11R1.81 CNCc1ncc(cc1C)C 34a_100102657272_100016990036 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.81 CNCc1ncc(cc1C)C 7a_106832991635_100016990036 [0,1,0,0,0,0|3,0,0]=4 1668 B11R1.81 CNCc1ncc(cc1F)C 207a_100102657272_100009845184 [0,1,0,0,0,0|3,0,0]=4 1669 B11R1.81 CNCc1ncc(cc1F)C 270004a_106832991635_100009845184 [0,1,0,0,0,0|3,0,0]=4 1670 B11R1.81 COCc1ccc(cc1Br)Br 34a_100012357508_200000210301 [0,1,0,0,0,0|3,0,0]=4 1671 B11R1.81 COCc1ccc(cc1Br)Br 34a_100138415774_200012351560 [0,1,0,0,0,0|3,0,0]=4 1672 B11R1.81 COCc1ccc(cc1Br)Br 7a_100012357508_200000210301 [0,1,0,0,0,0|3,0,0]=4 1673 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100000707881_200000210301 [0,1,0,0,0,0|3,0,0]=4 1674 B11R1.81 COCc1ccc(cc1Br)Cl 34a_100138415774_100000755608 [0,1,0,0,0,0|3,0,0]=4 1675 B11R1.81 COCc1ccc(cc1Br)Cl 7a_100000707881_200000210301 [0,1,0,0,0,0|3,0,0]=4 1676 B11R1.81 COCc1ccc(cc1Br)F 34a_100000744086_200000210301 [0,1,0,0,0,0|3,0,0]=4 1677 B11R1.81 COCc1ccc(cc1Br)F 34a_100138415774_100000243222 [0,1,0,0,0,0|3,0,0]=4 1678 B11R1.81 COCc1ccc(cc1Br)F 7a_100000744086_200000210301 [0,1,0,0,0,0|3,0,0]=4 1679 B11R1.81 COCc1ccc(cc1Br)I 34a_100138415774_100010146610 [0,1,0,0,0,0|3,0,0]=4 1680 B11R1.81 COCc1ccc(cc1Br)I 7a_100010240206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1681 B11R1.81 COCc1ccc(cc1C)Br 34a_100000748258_200000210301 [0,1,0,0,0,0|3,0,0]=4 1682 B11R1.81 COCc1ccc(cc1C)Br 34a_100138415774_100000708836 [0,1,0,0,0,0|3,0,0]=4 1683 B11R1.81 COCc1ccc(cc1C)Br 7a_100000748258_200000210301 [0,1,0,0,0,0|3,0,0]=4 1684 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [0,1,0,0,0,0|2,0,0]=3 1685 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [0,1,0,0,0,0|2,0,0]=3 1686 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [0,1,0,0,0,0|2,0,0]=3 1687 B11R1.81 COCc1ccc(cc1C)Cl 34a_100000702939_200000210301 [0,1,0,0,0,0|3,0,0]=4 1688 B11R1.81 COCc1ccc(cc1C)Cl 34a_100138415774_100012361307 [0,1,0,0,0,0|3,0,0]=4 1689 B11R1.81 COCc1ccc(cc1C)Cl 7a_100000702939_200000210301 [0,1,0,0,0,0|3,0,0]=4 1690 B11R1.81 COCc1ccc(cc1C)F 34a_100000700136_200000210301 [0,1,0,0,0,0|3,0,0]=4 1691 B11R1.81 COCc1ccc(cc1C)F 34a_100138415774_100000700533 [0,1,0,0,0,0|3,0,0]=4 1692 B11R1.81 COCc1ccc(cc1C)F 7a_100000700136_200000210301 [0,1,0,0,0,0|3,0,0]=4 1693 B11R1.81 COCc1ccc(cc1C)N 34a_100000102464_200000210301 [0,1,0,0,0,0|3,0,0]=4 1694 B11R1.81 COCc1ccc(cc1C)N 7a_100000102464_200000210301 [0,1,0,0,0,0|3,0,0]=4 1695 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100000756401_200000210301 [0,1,0,0,0,0|3,0,0]=4 1696 B11R1.81 COCc1ccc(cc1Cl)Br 34a_100138415774_100011740631 [0,1,0,0,0,0|3,0,0]=4 1697 B11R1.81 COCc1ccc(cc1Cl)Br 7a_100000756401_200000210301 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [0,1,0,0,0,0|2,0,0]=3 1699 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [0,1,0,0,0,0|2,0,0]=3 1700 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [0,1,0,0,0,0|2,0,0]=3 1701 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100000215721_200000210301 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.81 COCc1ccc(cc1Cl)Cl 34a_100138415774_100000188473 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.81 COCc1ccc(cc1Cl)Cl 7a_100000215721_200000210301 [0,1,0,0,0,0|3,0,0]=4 1704 B11R1.81 COCc1ccc(cc1Cl)F 34a_100011219954_200000210301 [0,1,0,0,0,0|3,0,0]=4 1705 B11R1.81 COCc1ccc(cc1Cl)F 34a_100138415774_100011216360 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.81 COCc1ccc(cc1Cl)F 7a_100011219954_200000210301 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.81 COCc1ccc(cc1Cl)N 34a_100000689119_200000210301 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.81 COCc1ccc(cc1F)Br 34a_100011191541_200000210301 [0,1,0,0,0,0|3,0,0]=4 1709 B11R1.81 COCc1ccc(cc1F)Br 34a_100138415774_100000211606 [0,1,0,0,0,0|3,0,0]=4 1710 B11R1.81 COCc1ccc(cc1F)Br 7a_100011191541_200000210301 [0,1,0,0,0,0|3,0,0]=4 1711 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [0,1,0,0,0,0|2,0,0]=3 1712 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [0,1,0,0,0,0|2,0,0]=3 1713 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [0,1,0,0,0,0|2,0,0]=3 1714 B11R1.81 COCc1ccc(cc1F)Cl 34a_100011217562_200000210301 [0,1,0,0,0,0|3,0,0]=4 1715 B11R1.81 COCc1ccc(cc1F)Cl 34a_100138415774_100000709361 [0,1,0,0,0,0|3,0,0]=4 1716 B11R1.81 COCc1ccc(cc1F)Cl 7a_100011217562_200000210301 [0,1,0,0,0,0|3,0,0]=4 1717 B11R1.81 COCc1ccc(cc1F)F 34a_100011215441_200000210301 [0,1,0,0,0,0|3,0,0]=4 1718 B11R1.81 COCc1ccc(cc1F)F 34a_100138415774_100000748237 [0,1,0,0,0,0|3,0,0]=4 1719 B11R1.81 COCc1ccc(cc1F)F 7a_100011215441_200000210301 [0,1,0,0,0,0|3,0,0]=4 1720 B11R1.81 COCc1ccc(cc1F)I 34a_100138415774_100010244991 [0,1,0,0,0,0|3,0,0]=4 1721 B11R1.81 COCc1ccc(cc1F)I 34a_200010202041_200000210301 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.81 COCc1ccc(cc1F)I 7a_200010202041_200000210301 [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.81 COCc1ccc(cc1I)Br 34a_100138415774_100010146615 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.81 COCc1ccc(cc1I)Br 7a_100010146605_200000210301 [0,1,0,0,0,0|3,0,0]=4 1725 B11R1.81 COCc1ccc(cc1I)Cl 34a_100000722340_200000210301 [0,1,0,0,0,0|3,0,0]=4 1726 B11R1.81 COCc1ccc(cc1I)Cl 34a_100138415774_100010254388 [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.81 COCc1ccc(cc1I)Cl 7a_100000722340_200000210301 [0,1,0,0,0,0|3,0,0]=4 1728 B11R1.81 COCc1ccc(cc1I)F 34a_100011356828_200000210301 [0,1,0,0,0,0|3,0,0]=4 1729 B11R1.81 COCc1ccc(cc1I)F 34a_100138415774_100012354799 [0,1,0,0,0,0|3,0,0]=4 1730 B11R1.81 COCc1ccc(cc1I)F 7a_100011356828_200000210301 [0,1,0,0,0,0|3,0,0]=4 1731 B11R1.81 COCc1ccc(cc1N)Br 34a_100000718831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1732 B11R1.81 COCc1ccc(cc1N)Br 7a_100000718831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1733 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [0,1,0,0,0,0|2,0,0]=3 1734 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [0,1,0,0,0,0|2,0,0]=3 1735 B11R1.81 COCc1ccc(cc1N)Cl 34a_100000238622_200000210301 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.81 COCc1ccc(cc1N)Cl 7a_100000238622_200000210301 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.81 COCc1ccc(cc1N)F 34a_100011996588_200000210301 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.81 COCc1ccc(nc1Br)C 34a_100138415774_200010064658 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.81 COCc1ccc(nc1C)C 34a_100011756430_200000210301 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.81 COCc1ccc(nc1C)C 7a_100011756430_200000210301 [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.81 COCc1ccc(nc1Cl)C 34a_102495338573_200000210301 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.81 COCc1ccc(nc1Cl)C 7a_102495338573_200000210301 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.81 COCc1cnc(cc1N)C 34a_200012022818_200000210301 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.81 COCc1ncc(cc1C)C 34a_100012000483_200000210301 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.81 COCc1ncc(cc1C)C 34a_100138415774_100016990036 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.81 COCc1ncc(cc1C)C 7a_100012000483_200000210301 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200000210301_200012351560 [0,1,0,0,0,0|3,0,0]=4 1749 B11R1.81 CSCc1ccc(cc1Br)Br 62a_200012351560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_100000755608_200000210301 [0,1,0,0,0,0|3,0,0]=4 1751 B11R1.81 CSCc1ccc(cc1Br)Cl 62a_200000210301_100000755608 [0,1,0,0,0,0|3,0,0]=4 1752 B11R1.81 CSCc1ccc(cc1Br)F 62a_100000243222_200000210301 [0,1,0,0,0,0|3,0,0]=4 1753 B11R1.81 CSCc1ccc(cc1Br)F 62a_200000210301_100000243222 [0,1,0,0,0,0|3,0,0]=4 1754 B11R1.81 CSCc1ccc(cc1Br)I 62a_100010146610_200000210301 [0,1,0,0,0,0|3,0,0]=4 1755 B11R1.81 CSCc1ccc(cc1Br)I 62a_200000210301_100010146610 [0,1,0,0,0,0|3,0,0]=4 1756 B11R1.81 CSCc1ccc(cc1C)Br 62a_100000708836_200000210301 [0,1,0,0,0,0|3,0,0]=4 1757 B11R1.81 CSCc1ccc(cc1C)Br 62a_200000210301_100000708836 [0,1,0,0,0,0|3,0,0]=4 1758 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [0,1,0,0,0,0|2,0,0]=3 1759 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [0,1,0,0,0,0|2,0,0]=3 1760 B11R1.81 CSCc1ccc(cc1C)Cl 62a_100012361307_200000210301 [0,1,0,0,0,0|3,0,0]=4 1761 B11R1.81 CSCc1ccc(cc1C)Cl 62a_200000210301_100012361307 [0,1,0,0,0,0|3,0,0]=4 1762 B11R1.81 CSCc1ccc(cc1C)F 62a_100000700533_200000210301 [0,1,0,0,0,0|3,0,0]=4 1763 B11R1.81 CSCc1ccc(cc1C)F 62a_200000210301_100000700533 [0,1,0,0,0,0|3,0,0]=4 1764 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_100011740631_200000210301 [0,1,0,0,0,0|3,0,0]=4 1765 B11R1.81 CSCc1ccc(cc1Cl)Br 62a_200000210301_100011740631 [0,1,0,0,0,0|3,0,0]=4 1766 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [0,1,0,0,0,0|2,0,0]=3 1767 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [0,1,0,0,0,0|2,0,0]=3 1768 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_100000188473_200000210301 [0,1,0,0,0,0|3,0,0]=4 1769 B11R1.81 CSCc1ccc(cc1Cl)Cl 62a_200000210301_100000188473 [0,1,0,0,0,0|3,0,0]=4 1770 B11R1.81 CSCc1ccc(cc1Cl)F 62a_100000187853_200000210301 [0,1,0,0,0,0|3,0,0]=4 1771 B11R1.81 CSCc1ccc(cc1Cl)F 62a_200000210301_100000187853 [0,1,0,0,0,0|3,0,0]=4 1772 B11R1.81 CSCc1ccc(cc1F)Br 62a_100000211606_200000210301 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.81 CSCc1ccc(cc1F)Br 62a_200000210301_100000211606 [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [0,1,0,0,0,0|2,0,0]=3 1775 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [0,1,0,0,0,0|2,0,0]=3 1776 B11R1.81 CSCc1ccc(cc1F)Cl 62a_100000709361_200000210301 [0,1,0,0,0,0|3,0,0]=4 1777 B11R1.81 CSCc1ccc(cc1F)Cl 62a_200000210301_100000709361 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.81 CSCc1ccc(cc1F)F 62a_100000748237_200000210301 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.81 CSCc1ccc(cc1F)F 62a_200000210301_100000748237 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.81 CSCc1ccc(cc1F)I 62a_100010244991_200000210301 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.81 CSCc1ccc(cc1F)I 62a_200000210301_100010244991 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.81 CSCc1ccc(cc1I)Br 62a_100010146615_200000210301 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.81 CSCc1ccc(cc1I)Br 62a_200000210301_100010146615 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.81 CSCc1ccc(cc1I)Cl 62a_100010254388_200000210301 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.81 CSCc1ccc(cc1I)Cl 62a_200000210301_100010254388 [0,1,0,0,0,0|3,0,0]=4 1786 B11R1.81 CSCc1ccc(cc1I)F 62a_100012354799_200000210301 [0,1,0,0,0,0|3,0,0]=4 1787 B11R1.81 CSCc1ccc(cc1I)F 62a_200000210301_100012354799 [0,1,0,0,0,0|3,0,0]=4 1788 B11R1.81 CSCc1ccc(nc1Br)C 62a_200000210301_200010064658 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.81 CSCc1ccc(nc1Br)C 62a_200010064658_200000210301 [0,1,0,0,0,0|3,0,0]=4 1790 B11R1.81 CSCc1ncc(cc1C)C 62a_100016990036_200000210301 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.81 CSCc1ncc(cc1C)C 62a_200000210301_100016990036 [0,1,0,0,0,0|3,0,0]=4 1792 B11R1.81 Cc1cc(c(cn1)CO[13CH3])N 34a_200012022818_200025704644 [0,1,0,0,0,0|3,0,0]=4 1793 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [0,1,0,0,0,0|2,0,1]=4 1794 B11R1.81 Cc1cc(ccc1CN[13CH3])Br 34a_100000753881_200025704644 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.81 Cc1cc(ccc1CN[13CH3])Cl 34a_103436540063_200025704644 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.81 Cc1cc(ccc1CN[13CH3])F 34a_100137329023_200025704644 [0,1,0,0,0,0|3,0,0]=4 1797 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 34a_100000748258_200025704644 [0,1,0,0,0,0|3,0,0]=4 1798 B11R1.81 Cc1cc(ccc1CO[13CH3])Br 7a_100000748258_200025704644 [0,1,0,0,0,0|3,0,0]=4 1799 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 34a_100000702939_200025704644 [0,1,0,0,0,0|3,0,0]=4 1800 B11R1.81 Cc1cc(ccc1CO[13CH3])Cl 7a_100000702939_200025704644 [0,1,0,0,0,0|3,0,0]=4 1801 B11R1.81 Cc1cc(ccc1CO[13CH3])F 34a_100000700136_200025704644 [0,1,0,0,0,0|3,0,0]=4 1802 B11R1.81 Cc1cc(ccc1CO[13CH3])F 7a_100000700136_200025704644 [0,1,0,0,0,0|3,0,0]=4 1803 B11R1.81 Cc1cc(ccc1CO[13CH3])N 34a_100000102464_200025704644 [0,1,0,0,0,0|3,0,0]=4 1804 B11R1.81 Cc1cc(ccc1CO[13CH3])N 7a_100000102464_200025704644 [0,1,0,0,0,0|3,0,0]=4 1805 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_100000708836_200025704644 [0,1,0,0,0,0|3,0,0]=4 1806 B11R1.81 Cc1cc(ccc1CS[13CH3])Br 62a_200025704644_100000708836 [0,1,0,0,0,0|3,0,0]=4 1807 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_100012361307_200025704644 [0,1,0,0,0,0|3,0,0]=4 1808 B11R1.81 Cc1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012361307 [0,1,0,0,0,0|3,0,0]=4 1809 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_100000700533_200025704644 [0,1,0,0,0,0|3,0,0]=4 1810 B11R1.81 Cc1cc(ccc1CS[13CH3])F 62a_200025704644_100000700533 [0,1,0,0,0,0|3,0,0]=4 1811 B11R1.81 Cc1ccc(c(c1)Br)NCF 34a_100000210942_100015361967 [0,1,0,0,0,0|2,0,1]=4 1812 B11R1.81 Cc1ccc(c(c1)Br)OCF 34a_100000210800_100015361967 [0,1,0,0,0,0|2,0,1]=4 1813 B11R1.81 Cc1ccc(c(c1)Br)OCF 7a_100000210800_100015361967 [0,1,0,0,0,0|2,0,1]=4 1814 B11R1.81 Cc1ccc(c(c1)Br)SCF 62a_100009813563_100015361967 [0,1,0,0,0,0|2,0,1]=4 1815 B11R1.81 Cc1ccc(c(c1)Br)SCF 62a_100015361967_100009813563 [0,1,0,0,0,0|2,0,1]=4 1816 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [0,1,0,0,0,0|2,0,0]=3 1818 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [0,1,0,0,0,0|2,0,0]=3 1819 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [0,1,0,0,0,0|2,0,0]=3 1820 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [0,1,0,0,0,0|2,0,0]=3 1821 B11R1.81 Cc1ccc(c(c1)C)NCF 34a_100000736561_100015361967 [0,1,0,0,0,0|2,0,1]=4 1822 B11R1.81 Cc1ccc(c(c1)C)NCF 7a_100000736561_100015361967 [0,1,0,0,0,0|2,0,1]=4 1823 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [0,1,0,0,0,0|2,0,1]=4 1824 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [0,1,0,0,0,0|2,0,1]=4 1825 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100011217332_100015361967 [0,1,0,0,0,0|2,0,1]=4 1826 B11R1.81 Cc1ccc(c(c1)C)SCF 62a_100015361967_100011217332 [0,1,0,0,0,0|2,0,1]=4 1827 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [0,1,0,0,0,0|2,0,0]=3 1828 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [0,1,0,0,0,0|2,0,0]=3 1829 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [0,1,0,0,0,0|2,0,0]=3 1830 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [0,1,0,0,0,0|2,0,0]=3 1831 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [0,1,0,0,0,0|2,0,0]=3 1832 B11R1.81 Cc1ccc(c(c1)Cl)NCF 34a_100000210522_100015361967 [0,1,0,0,0,0|2,0,1]=4 1833 B11R1.81 Cc1ccc(c(c1)Cl)OCF 34a_100000749699_100015361967 [0,1,0,0,0,0|2,0,1]=4 1834 B11R1.81 Cc1ccc(c(c1)Cl)OCF 7a_100000749699_100015361967 [0,1,0,0,0,0|2,0,1]=4 1835 B11R1.81 Cc1ccc(c(c1)Cl)SCF 62a_100011263221_100015361967 [0,1,0,0,0,0|2,0,1]=4 1836 B11R1.81 Cc1ccc(c(c1)Cl)SCF 62a_100015361967_100011263221 [0,1,0,0,0,0|2,0,1]=4 1837 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [0,1,0,0,0,0|2,0,0]=3 1838 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [0,1,0,0,0,0|2,0,0]=3 1839 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [0,1,0,0,0,0|2,0,0]=3 1840 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [0,1,0,0,0,0|2,0,0]=3 1841 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [0,1,0,0,0,0|2,0,0]=3 1842 B11R1.81 Cc1ccc(c(c1)F)NCF 34a_100000211023_100015361967 [0,1,0,0,0,0|2,0,1]=4 1843 B11R1.81 Cc1ccc(c(c1)F)OCF 34a_100011216688_100015361967 [0,1,0,0,0,0|2,0,1]=4 1844 B11R1.81 Cc1ccc(c(c1)F)OCF 7a_100011216688_100015361967 [0,1,0,0,0,0|2,0,1]=4 1845 B11R1.81 Cc1ccc(c(c1)F)SCF 62a_100011216119_100015361967 [0,1,0,0,0,0|2,0,1]=4 1846 B11R1.81 Cc1ccc(c(c1)F)SCF 62a_100015361967_100011216119 [0,1,0,0,0,0|2,0,1]=4 1847 B11R1.81 Cc1ccc(c(c1)I)NCF 34a_100011356834_100015361967 [0,1,0,0,0,0|2,0,1]=4 1848 B11R1.81 Cc1ccc(c(c1)I)OCF 34a_100000765521_100015361967 [0,1,0,0,0,0|2,0,1]=4 1849 B11R1.81 Cc1ccc(c(c1)I)OCF 7a_100000765521_100015361967 [0,1,0,0,0,0|2,0,1]=4 1850 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [0,1,0,0,0,0|2,0,0]=3 1851 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [0,1,0,0,0,0|2,0,0]=3 1852 B11R1.81 Cc1ccc(c(c1)N)OCF 34a_100011215204_100015361967 [0,1,0,0,0,0|2,0,1]=4 1853 B11R1.81 Cc1ccc(c(c1)N)OCF 7a_100011215204_100015361967 [0,1,0,0,0,0|2,0,1]=4 1854 B11R1.81 Cc1ccc(c(c1)N)SCF 62a_100011216686_100015361967 [0,1,0,0,0,0|2,0,1]=4 1855 B11R1.81 Cc1ccc(c(c1)N)SCF 62a_100015361967_100011216686 [0,1,0,0,0,0|2,0,1]=4 1856 B11R1.81 Cc1ccc(c(c1)O)NCF 34a_100000211527_100015361967 [0,1,0,0,0,0|2,0,1]=4 1857 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100012002257_100015361967 [0,1,0,0,0,0|2,0,1]=4 1858 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100015361967_100012002257 [0,1,0,0,0,0|2,0,1]=4 1859 B11R1.81 Cc1ccc(c(n1)Br)CS[13CH3] 62a_200010064658_200025704644 [0,1,0,0,0,0|3,0,0]=4 1860 B11R1.81 Cc1ccc(c(n1)Br)CS[13CH3] 62a_200025704644_200010064658 [0,1,0,0,0,0|3,0,0]=4 1861 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 34a_100011756430_200025704644 [0,1,0,0,0,0|3,0,0]=4 1862 B11R1.81 Cc1ccc(c(n1)C)CO[13CH3] 7a_100011756430_200025704644 [0,1,0,0,0,0|3,0,0]=4 1863 B11R1.81 Cc1ccc(c(n1)Cl)CO[13CH3] 34a_102495338573_200025704644 [0,1,0,0,0,0|3,0,0]=4 1864 B11R1.81 Cc1ccc(c(n1)Cl)CO[13CH3] 7a_102495338573_200025704644 [0,1,0,0,0,0|3,0,0]=4 1865 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 34a_100012000483_200025704644 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.81 Cc1cnc(c(c1)C)CO[13CH3] 7a_100012000483_200025704644 [0,1,0,0,0,0|3,0,0]=4 1867 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_100016990036_200025704644 [0,1,0,0,0,0|3,0,0]=4 1868 B11R1.81 Cc1cnc(c(c1)C)CS[13CH3] 62a_200025704644_100016990036 [0,1,0,0,0,0|3,0,0]=4 1869 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [0,1,0,0,0,0|2,0,1]=4 1870 B11R1.81 N#CCc1ccc(cc1O)F 271570a_203496583355_100011207962 [0,1,0,0,0,0|2,0,1]=4 1871 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [0,1,0,0,0,0|1,0,2]=4 1872 B11R1.81 [13CH3]NCc1ccc(cc1Br)Cl 34a_100102692131_200025704644 [0,1,0,0,0,0|3,0,0]=4 1873 B11R1.81 [13CH3]NCc1ccc(cc1Br)F 34a_100000708791_200025704644 [0,1,0,0,0,0|3,0,0]=4 1874 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Br 34a_100020628970_200025704644 [0,1,0,0,0,0|3,0,0]=4 1875 B11R1.81 [13CH3]NCc1ccc(cc1Cl)Cl 34a_100000174880_200025704644 [0,1,0,0,0,0|3,0,0]=4 1876 B11R1.81 [13CH3]NCc1ccc(cc1Cl)F 34a_100000174946_200025704644 [0,1,0,0,0,0|3,0,0]=4 1877 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [0,1,0,0,0,0|3,0,0]=4 1878 B11R1.81 [13CH3]NCc1ccc(cc1F)Br 34a_100000754580_200025704644 [0,1,0,0,0,0|3,0,0]=4 1879 B11R1.81 [13CH3]NCc1ccc(cc1F)Cl 34a_100000708496_200025704644 [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.81 [13CH3]NCc1ccc(cc1F)F 34a_100000737868_200025704644 [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 34a_100012357508_200025704644 [0,1,0,0,0,0|3,0,0]=4 1882 B11R1.81 [13CH3]OCc1ccc(cc1Br)Br 7a_100012357508_200025704644 [0,1,0,0,0,0|3,0,0]=4 1883 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 34a_100000707881_200025704644 [0,1,0,0,0,0|3,0,0]=4 1884 B11R1.81 [13CH3]OCc1ccc(cc1Br)Cl 7a_100000707881_200025704644 [0,1,0,0,0,0|3,0,0]=4 1885 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 34a_100000744086_200025704644 [0,1,0,0,0,0|3,0,0]=4 1886 B11R1.81 [13CH3]OCc1ccc(cc1Br)F 7a_100000744086_200025704644 [0,1,0,0,0,0|3,0,0]=4 1887 B11R1.81 [13CH3]OCc1ccc(cc1Br)I 7a_100010240206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1888 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 34a_100000756401_200025704644 [0,1,0,0,0,0|3,0,0]=4 1889 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Br 7a_100000756401_200025704644 [0,1,0,0,0,0|3,0,0]=4 1890 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 34a_100000215721_200025704644 [0,1,0,0,0,0|3,0,0]=4 1891 B11R1.81 [13CH3]OCc1ccc(cc1Cl)Cl 7a_100000215721_200025704644 [0,1,0,0,0,0|3,0,0]=4 1892 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 34a_100011219954_200025704644 [0,1,0,0,0,0|3,0,0]=4 1893 B11R1.81 [13CH3]OCc1ccc(cc1Cl)F 7a_100011219954_200025704644 [0,1,0,0,0,0|3,0,0]=4 1894 B11R1.81 [13CH3]OCc1ccc(cc1Cl)N 34a_100000689119_200025704644 [0,1,0,0,0,0|3,0,0]=4 1895 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 34a_100011191541_200025704644 [0,1,0,0,0,0|3,0,0]=4 1896 B11R1.81 [13CH3]OCc1ccc(cc1F)Br 7a_100011191541_200025704644 [0,1,0,0,0,0|3,0,0]=4 1897 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 34a_100011217562_200025704644 [0,1,0,0,0,0|3,0,0]=4 1898 B11R1.81 [13CH3]OCc1ccc(cc1F)Cl 7a_100011217562_200025704644 [0,1,0,0,0,0|3,0,0]=4 1899 B11R1.81 [13CH3]OCc1ccc(cc1F)F 34a_100011215441_200025704644 [0,1,0,0,0,0|3,0,0]=4 1900 B11R1.81 [13CH3]OCc1ccc(cc1F)F 7a_100011215441_200025704644 [0,1,0,0,0,0|3,0,0]=4 1901 B11R1.81 [13CH3]OCc1ccc(cc1F)I 34a_200010202041_200025704644 [0,1,0,0,0,0|3,0,0]=4 1902 B11R1.81 [13CH3]OCc1ccc(cc1F)I 7a_200010202041_200025704644 [0,1,0,0,0,0|3,0,0]=4 1903 B11R1.81 [13CH3]OCc1ccc(cc1I)Br 7a_100010146605_200025704644 [0,1,0,0,0,0|3,0,0]=4 1904 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 34a_100000722340_200025704644 [0,1,0,0,0,0|3,0,0]=4 1905 B11R1.81 [13CH3]OCc1ccc(cc1I)Cl 7a_100000722340_200025704644 [0,1,0,0,0,0|3,0,0]=4 1906 B11R1.81 [13CH3]OCc1ccc(cc1I)F 34a_100011356828_200025704644 [0,1,0,0,0,0|3,0,0]=4 1907 B11R1.81 [13CH3]OCc1ccc(cc1I)F 7a_100011356828_200025704644 [0,1,0,0,0,0|3,0,0]=4 1908 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 34a_100000718831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1909 B11R1.81 [13CH3]OCc1ccc(cc1N)Br 7a_100000718831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1910 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 34a_100000238622_200025704644 [0,1,0,0,0,0|3,0,0]=4 1911 B11R1.81 [13CH3]OCc1ccc(cc1N)Cl 7a_100000238622_200025704644 [0,1,0,0,0,0|3,0,0]=4 1912 B11R1.81 [13CH3]OCc1ccc(cc1N)F 34a_100011996588_200025704644 [0,1,0,0,0,0|3,0,0]=4 1913 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200012351560_200025704644 [0,1,0,0,0,0|3,0,0]=4 1914 B11R1.81 [13CH3]SCc1ccc(cc1Br)Br 62a_200025704644_200012351560 [0,1,0,0,0,0|3,0,0]=4 1915 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_100000755608_200025704644 [0,1,0,0,0,0|3,0,0]=4 1916 B11R1.81 [13CH3]SCc1ccc(cc1Br)Cl 62a_200025704644_100000755608 [0,1,0,0,0,0|3,0,0]=4 1917 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_100000243222_200025704644 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.81 [13CH3]SCc1ccc(cc1Br)F 62a_200025704644_100000243222 [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_100010146610_200025704644 [0,1,0,0,0,0|3,0,0]=4 1920 B11R1.81 [13CH3]SCc1ccc(cc1Br)I 62a_200025704644_100010146610 [0,1,0,0,0,0|3,0,0]=4 1921 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_100011740631_200025704644 [0,1,0,0,0,0|3,0,0]=4 1922 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Br 62a_200025704644_100011740631 [0,1,0,0,0,0|3,0,0]=4 1923 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_100000188473_200025704644 [0,1,0,0,0,0|3,0,0]=4 1924 B11R1.81 [13CH3]SCc1ccc(cc1Cl)Cl 62a_200025704644_100000188473 [0,1,0,0,0,0|3,0,0]=4 1925 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_100000187853_200025704644 [0,1,0,0,0,0|3,0,0]=4 1926 B11R1.81 [13CH3]SCc1ccc(cc1Cl)F 62a_200025704644_100000187853 [0,1,0,0,0,0|3,0,0]=4 1927 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_100000211606_200025704644 [0,1,0,0,0,0|3,0,0]=4 1928 B11R1.81 [13CH3]SCc1ccc(cc1F)Br 62a_200025704644_100000211606 [0,1,0,0,0,0|3,0,0]=4 1929 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_100000709361_200025704644 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.81 [13CH3]SCc1ccc(cc1F)Cl 62a_200025704644_100000709361 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_100000748237_200025704644 [0,1,0,0,0,0|3,0,0]=4 1932 B11R1.81 [13CH3]SCc1ccc(cc1F)F 62a_200025704644_100000748237 [0,1,0,0,0,0|3,0,0]=4 1933 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_100010244991_200025704644 [0,1,0,0,0,0|3,0,0]=4 1934 B11R1.81 [13CH3]SCc1ccc(cc1F)I 62a_200025704644_100010244991 [0,1,0,0,0,0|3,0,0]=4 1935 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_100010146615_200025704644 [0,1,0,0,0,0|3,0,0]=4 1936 B11R1.81 [13CH3]SCc1ccc(cc1I)Br 62a_200025704644_100010146615 [0,1,0,0,0,0|3,0,0]=4 1937 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_100010254388_200025704644 [0,1,0,0,0,0|3,0,0]=4 1938 B11R1.81 [13CH3]SCc1ccc(cc1I)Cl 62a_200025704644_100010254388 [0,1,0,0,0,0|3,0,0]=4 1939 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_100012354799_200025704644 [0,1,0,0,0,0|3,0,0]=4 1940 B11R1.81 [13CH3]SCc1ccc(cc1I)F 62a_200025704644_100012354799 [0,1,0,0,0,0|3,0,0]=4 1941 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [0,1,0,0,0,0|2,0,1]=4 1942 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [0,1,0,0,0,0|2,0,1]=4 1943 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [0,1,0,0,0,0|2,0,1]=4 1944 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [0,1,0,0,0,0|2,0,1]=4 1945 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [0,1,0,0,0,0|2,0,1]=4 1946 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [0,1,0,0,0,0|2,0,1]=4 1947 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [0,1,0,0,0,0|2,0,1]=4 1948 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [0,1,0,0,0,0|2,0,1]=4 1949 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [0,1,0,0,0,0|2,0,1]=4 1950 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [0,1,0,0,0,0|2,0,1]=4 1951 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [0,1,0,0,0,0|2,0,1]=4 1952 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.83 C#Cc1ccc(cc1)CSC 62a_200000210301_100000140223 [0,1,0,0,0,0|2,0,1]=4 1956 B11R1.83 C#Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000140223 [0,1,0,0,0,0|2,0,1]=4 1957 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [0,1,0,0,0,0|1,0,1]=3 1958 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [0,1,0,0,0,0|1,0,1]=3 1959 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [0,1,0,0,0,0|1,0,1]=3 1960 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [0,1,0,0,0,0|1,0,1]=3 1961 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [0,1,0,0,0,0|1,0,2]=4 1962 B11R1.83 C=C=Cc1ccc(cc1)CF 271570a_100015277604_100010268989 [0,1,0,0,0,0|1,0,2]=4 1963 B11R1.83 C=C=Cc1ccc(cc1)CN 271570a_100015277604_100016989417 [0,1,0,0,0,0|1,0,2]=4 1964 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [0,1,0,0,0,0|1,0,2]=4 1965 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [0,1,0,0,0,0|1,0,2]=4 1966 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [0,1,0,0,0,0|1,0,2]=4 1967 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [0,1,0,0,0,0|1,0,2]=4 1968 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [0,1,0,0,0,0|1,0,0]=2 1969 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [0,1,0,0,0,0|1,0,0]=2 1970 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [0,1,0,0,0,0|1,0,0]=2 1971 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [0,1,0,0,0,0|1,0,0]=2 1972 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [0,1,0,0,0,0|2,0,0]=3 1973 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [0,1,0,0,0,0|2,0,0]=3 1974 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [0,1,0,0,0,0|2,0,0]=3 1975 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [0,1,0,0,0,0|2,0,0]=3 1976 B11R1.83 C=Cc1ccc(cc1)/C=C/Br 271570a_100011290941_200016255901 [0,1,0,0,0,0|1,0,2]=4 1977 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [0,1,0,0,0,0|1,0,2]=4 1978 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [0,1,0,0,0,0|1,0,2]=4 1979 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [0,1,0,0,0,0|0,0,1]=2 1980 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [0,1,0,0,0,0|1,0,2]=4 1981 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [0,1,0,0,0,0|1,0,2]=4 1982 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [0,1,0,0,0,0|0,0,3]=4 1983 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [0,1,0,0,0,0|2,0,1]=4 1984 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [0,1,0,0,0,0|2,0,1]=4 1985 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [0,1,0,0,0,0|2,0,1]=4 1986 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [0,1,0,0,0,0|2,0,1]=4 1987 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [0,1,0,0,0,0|2,0,1]=4 1988 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [0,1,0,0,0,0|2,0,1]=4 1989 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [0,1,0,0,0,0|2,0,1]=4 1990 B11R1.83 C=Cc1ccc(cc1)CNN 271570a_100011290941_100016993955 [0,1,0,0,0,0|2,0,1]=4 1991 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [0,1,0,0,0,0|2,0,1]=4 1992 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [0,1,0,0,0,0|2,0,1]=4 1993 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [0,1,0,0,0,0|2,0,1]=4 1994 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [0,1,0,0,0,0|2,0,1]=4 1995 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [0,1,0,0,0,0|2,0,1]=4 1996 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [0,1,0,0,0,0|2,0,1]=4 1997 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [0,1,0,0,0,0|2,0,1]=4 1998 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [0,1,0,0,0,0|2,0,1]=4 2000 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [0,1,0,0,0,0|2,0,1]=4 2001 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [0,1,0,0,0,0|2,0,1]=4 2002 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [0,1,0,0,0,0|1,0,2]=4 2003 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,1,0,0,0,0|1,0,2]=4 2004 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [0,1,0,0,0,0|1,0,1]=3 2005 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [0,1,0,0,0,0|1,0,1]=3 2006 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [0,1,0,0,0,0|1,0,1]=3 2007 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [0,1,0,0,0,0|1,0,1]=3 2008 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [0,1,0,0,0,0|1,0,1]=3 2009 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [0,1,0,0,0,0|2,0,1]=4 2010 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [0,1,0,0,0,0|1,0,1]=3 2011 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [0,1,0,0,0,0|1,0,1]=3 2012 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [0,1,0,0,0,0|2,0,1]=4 2013 B11R1.83 CC=Cc1ccc(cn1)CN 271570a_100016259895_100009817727 [0,1,0,0,0,0|2,0,1]=4 2014 B11R1.83 CC=Cc1ccc(cn1)CO 271570a_100016259895_100009816760 [0,1,0,0,0,0|2,0,1]=4 2015 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [0,1,0,0,0,0|2,0,1]=4 2016 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [0,1,0,0,0,0|2,0,1]=4 2017 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [0,1,0,0,0,0|2,0,1]=4 2018 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [0,1,0,0,0,0|2,0,1]=4 2019 B11R1.83 CC=Cc1ccc(nc1)CN 271570a_100016259895_100015188789 [0,1,0,0,0,0|2,0,1]=4 2020 B11R1.83 CC=Cc1ccc(nc1)CO 271570a_100016259895_100000754261 [0,1,0,0,0,0|2,0,1]=4 2021 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [0,1,0,0,0,0|2,0,1]=4 2022 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [0,1,0,0,0,0|2,0,1]=4 2023 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [0,1,0,0,0,0|2,0,1]=4 2024 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [0,1,0,0,0,0|1,0,1]=3 2025 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [0,1,0,0,0,0|1,0,1]=3 2026 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [0,1,0,0,0,0|1,0,1]=3 2027 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [0,1,0,0,0,0|1,0,1]=3 2028 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [0,1,0,0,0,0|1,0,1]=3 2029 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [0,1,0,0,0,0|1,0,1]=3 2030 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [0,1,0,0,0,0|1,0,1]=3 2031 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [0,1,0,0,0,0|1,0,1]=3 2032 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [0,1,0,0,0,0|1,0,1]=3 2033 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [0,1,0,0,0,0|1,0,1]=3 2034 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [0,1,0,0,0,0|1,0,1]=3 2035 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [0,1,0,0,0,0|1,0,1]=3 2036 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [0,1,0,0,0,0|2,0,1]=4 2037 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [0,1,0,0,0,0|2,0,1]=4 2038 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [0,1,0,0,0,0|2,0,1]=4 2039 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [0,1,0,0,0,0|2,0,1]=4 2040 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [0,1,0,0,0,0|2,0,1]=4 2041 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 2042 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [0,1,0,0,0,0|2,0,1]=4 2043 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 2044 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [0,1,0,0,0,0|2,0,1]=4 2045 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [0,1,0,0,0,0|2,0,1]=4 2046 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [0,1,0,0,0,0|2,0,1]=4 2047 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [0,1,0,0,0,0|2,0,1]=4 2048 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [0,1,0,0,0,0|2,0,1]=4 2049 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [0,1,0,0,0,0|2,0,1]=4 2050 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [0,1,0,0,0,0|2,0,1]=4 2051 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [0,1,0,0,0,0|2,0,1]=4 2052 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [0,1,0,0,0,0|2,0,1]=4 2053 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [0,1,0,0,0,0|2,0,1]=4 2054 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [0,1,0,0,0,0|2,0,1]=4 2055 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [0,1,0,0,0,0|2,0,1]=4 2056 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [0,1,0,0,0,0|2,0,1]=4 2057 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,1,0,0,0,0|2,0,1]=4 2058 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,1,0,0,0,0|2,0,1]=4 2059 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,1,0,0,0,0|2,0,1]=4 2060 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [0,1,0,0,0,0|2,0,1]=4 2061 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [0,1,0,0,0,0|2,0,1]=4 2062 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [0,1,0,0,0,0|2,0,1]=4 2063 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [0,1,0,0,0,0|2,0,1]=4 2064 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [0,1,0,0,0,0|2,0,1]=4 2065 B11R1.83 CCSc1ccc(cc1)CF 62a_100000210202_100010268989 [0,1,0,0,0,0|2,0,1]=4 2066 B11R1.83 CCSc1ccc(cc1)CF 62a_100010268989_100000210202 [0,1,0,0,0,0|2,0,1]=4 2067 B11R1.83 CCSc1ccc(cc1)CN 62a_100000210202_100016989417 [0,1,0,0,0,0|2,0,1]=4 2068 B11R1.83 CCSc1ccc(cc1)CN 62a_100016989417_100000210202 [0,1,0,0,0,0|2,0,1]=4 2069 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [0,1,0,0,0,0|2,0,1]=4 2070 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [0,1,0,0,0,0|2,0,1]=4 2071 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [0,1,0,0,0,0|2,0,1]=4 2072 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [0,1,0,0,0,0|2,0,1]=4 2073 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [0,1,0,0,0,0|2,0,1]=4 2074 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [0,1,0,0,0,0|2,0,1]=4 2075 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [0,1,0,0,0,0|2,0,1]=4 2076 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [0,1,0,0,0,0|2,0,1]=4 2077 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [0,1,0,0,0,0|2,0,1]=4 2078 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [0,1,0,0,0,0|2,0,1]=4 2079 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [0,1,0,0,0,0|2,0,1]=4 2080 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [0,1,0,0,0,0|2,0,1]=4 2081 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [0,1,0,0,0,0|2,0,1]=4 2082 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [0,1,0,0,0,0|2,0,0]=3 2083 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [0,1,0,0,0,0|2,0,0]=3 2084 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [0,1,0,0,0,0|2,0,0]=3 2085 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [0,1,0,0,0,0|2,0,0]=3 2086 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [0,1,0,0,0,0|2,0,0]=3 2087 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [0,1,0,0,0,0|2,0,0]=3 2088 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [0,1,0,0,0,0|2,0,0]=3 2089 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [0,1,0,0,0,0|2,0,0]=3 2090 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [0,1,0,0,0,0|2,0,0]=3 2091 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [0,1,0,0,0,0|2,0,0]=3 2092 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [0,1,0,0,0,0|2,0,0]=3 2093 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [0,1,0,0,0,0|2,0,0]=3 2094 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [0,1,0,0,0,0|2,0,0]=3 2095 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [0,1,0,0,0,0|2,0,0]=3 2096 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [0,1,0,0,0,0|2,0,0]=3 2097 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [0,1,0,0,0,0|2,0,0]=3 2098 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [0,1,0,0,0,0|2,0,0]=3 2099 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [0,1,0,0,0,0|2,0,0]=3 2100 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [0,1,0,0,0,0|2,0,0]=3 2101 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [0,1,0,0,0,0|2,0,1]=4 2102 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [0,1,0,0,0,0|2,0,1]=4 2103 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [0,1,0,0,0,0|2,0,1]=4 2104 B11R1.83 CCc1ccc(cc1)SCF 62a_100011215824_100015361967 [0,1,0,0,0,0|2,0,1]=4 2105 B11R1.83 CCc1ccc(cc1)SCF 62a_100015361967_100011215824 [0,1,0,0,0,0|2,0,1]=4 2106 B11R1.83 CCc1ccc(nc1)CNC 207a_100102657272_100000069529 [0,1,0,0,0,0|3,0,0]=4 2107 B11R1.83 CCc1ccc(nc1)CNC 2230a_100000069493_200000210301 [0,1,0,0,0,0|3,0,0]=4 2108 B11R1.83 CCc1ccc(nc1)CNC 270004a_106832991635_100000069529 [0,1,0,0,0,0|3,0,0]=4 2109 B11R1.83 CCc1ccc(nc1)CNC 34a_100000069493_200000210301 [0,1,0,0,0,0|3,0,0]=4 2110 B11R1.83 CCc1ccc(nc1)CN[13CH3] 2230a_100000069493_200025704644 [0,1,0,0,0,0|3,0,0]=4 2111 B11R1.83 CCc1ccc(nc1)CN[13CH3] 34a_100000069493_200025704644 [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [0,1,0,0,0,0|3,0,0]=4 2113 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [0,1,0,0,0,0|3,0,0]=4 2114 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [0,1,0,0,0,0|2,0,1]=4 2115 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [0,1,0,0,0,0|2,0,1]=4 2116 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [0,1,0,0,0,0|2,0,1]=4 2117 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [0,1,0,0,0,0|2,0,1]=4 2118 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [0,1,0,0,0,0|2,0,1]=4 2119 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [0,1,0,0,0,0|2,0,1]=4 2120 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [0,1,0,0,0,0|2,0,1]=4 2121 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [0,1,0,0,0,0|2,0,1]=4 2122 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [0,1,0,0,0,0|2,0,1]=4 2123 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [0,1,0,0,0,0|2,0,1]=4 2124 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [0,1,0,0,0,0|2,0,0]=3 2125 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [0,1,0,0,0,0|2,0,0]=3 2126 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [0,1,0,0,0,0|2,0,0]=3 2127 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [0,1,0,0,0,0|2,0,0]=3 2128 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [0,1,0,0,0,0|2,0,0]=3 2129 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [0,1,0,0,0,0|2,0,0]=3 2130 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [0,1,0,0,0,0|2,0,0]=3 2131 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [0,1,0,0,0,0|2,0,0]=3 2132 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [0,1,0,0,0,0|2,0,0]=3 2133 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [0,1,0,0,0,0|2,0,0]=3 2134 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [0,1,0,0,0,0|2,0,0]=3 2135 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [0,1,0,0,0,0|2,0,0]=3 2136 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [0,1,0,0,0,0|2,0,0]=3 2137 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [0,1,0,0,0,0|2,0,0]=3 2138 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [0,1,0,0,0,0|2,0,0]=3 2139 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [0,1,0,0,0,0|2,0,0]=3 2140 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [0,1,0,0,0,0|2,0,0]=3 2141 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [0,1,0,0,0,0|2,0,0]=3 2142 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [0,1,0,0,0,0|2,0,0]=3 2143 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [0,1,0,0,0,0|2,0,0]=3 2144 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [0,1,0,0,0,0|2,0,0]=3 2145 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [0,1,0,0,0,0|2,0,0]=3 2150 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [0,1,0,0,0,0|2,0,0]=3 2151 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [0,1,0,0,0,0|2,0,0]=3 2152 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [0,1,0,0,0,0|3,0,0]=4 2154 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [0,1,0,0,0,0|3,0,0]=4 2155 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [0,1,0,0,0,0|3,0,0]=4 2156 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [0,1,0,0,0,0|3,0,0]=4 2157 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [0,1,0,0,0,0|3,0,0]=4 2158 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [0,1,0,0,0,0|3,0,0]=4 2159 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [0,1,0,0,0,0|3,0,0]=4 2160 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [0,1,0,0,0,0|3,0,0]=4 2161 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [0,1,0,0,0,0|3,0,0]=4 2162 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [0,1,0,0,0,0|3,0,0]=4 2163 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [0,1,0,0,0,0|3,0,0]=4 2164 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [0,1,0,0,0,0|3,0,0]=4 2165 B11R1.83 CNCc1ccc(nc1)SC 62a_100000026953_200000210301 [0,1,0,0,0,0|3,0,0]=4 2166 B11R1.83 CNCc1ccc(nc1)SC 62a_200000210301_100000026953 [0,1,0,0,0,0|3,0,0]=4 2167 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_100000026953_200025704644 [0,1,0,0,0,0|3,0,0]=4 2168 B11R1.83 CNCc1ccc(nc1)S[13CH3] 62a_200025704644_100000026953 [0,1,0,0,0,0|3,0,0]=4 2169 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [0,1,0,0,0,0|1,0,1]=3 2170 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [0,1,0,0,0,0|0,0,2]=3 2171 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [0,1,0,0,0,0|0,0,2]=3 2172 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [0,1,0,0,0,0|2,0,0]=3 2173 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [0,1,0,0,0,0|2,0,0]=3 2174 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [0,1,0,0,0,0|2,0,0]=3 2175 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [0,1,0,0,0,0|2,0,0]=3 2176 B11R1.83 CNc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200000210301 [0,1,0,0,0,0|3,0,0]=4 2177 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [0,1,0,0,0,0|2,0,1]=4 2178 B11R1.83 CNc1ccc(cc1)SCF 62a_100000743151_100015361967 [0,1,0,0,0,0|2,0,1]=4 2179 B11R1.83 CNc1ccc(cc1)SCF 62a_100015361967_100000743151 [0,1,0,0,0,0|2,0,1]=4 2180 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [0,1,0,0,0,0|2,0,1]=4 2181 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [0,1,0,0,0,0|2,0,1]=4 2182 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [0,1,0,0,0,0|2,0,1]=4 2183 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [0,1,0,0,0,0|2,0,1]=4 2184 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [0,1,0,0,0,0|2,0,0]=3 2185 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [0,1,0,0,0,0|2,0,0]=3 2186 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [0,1,0,0,0,0|2,0,0]=3 2187 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [0,1,0,0,0,0|2,0,0]=3 2188 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [0,1,0,0,0,0|2,0,0]=3 2189 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [0,1,0,0,0,0|2,0,0]=3 2190 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [0,1,0,0,0,0|2,0,0]=3 2191 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [0,1,0,0,0,0|2,0,0]=3 2192 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [0,1,0,0,0,0|2,0,0]=3 2193 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [0,1,0,0,0,0|2,0,0]=3 2194 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [0,1,0,0,0,0|2,0,0]=3 2195 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [0,1,0,0,0,0|2,0,0]=3 2196 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [0,1,0,0,0,0|2,0,0]=3 2197 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [0,1,0,0,0,0|2,0,0]=3 2198 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [0,1,0,0,0,0|2,0,0]=3 2199 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [0,1,0,0,0,0|2,0,0]=3 2200 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [0,1,0,0,0,0|2,0,0]=3 2201 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [0,1,0,0,0,0|2,0,0]=3 2202 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [0,1,0,0,0,0|2,0,0]=3 2203 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [0,1,0,0,0,0|2,0,0]=3 2204 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [0,1,0,0,0,0|3,0,0]=4 2205 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [0,1,0,0,0,0|3,0,0]=4 2206 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [0,1,0,0,0,0|3,0,0]=4 2207 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [0,1,0,0,0,0|3,0,0]=4 2208 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [0,1,0,0,0,0|1,0,1]=3 2209 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [0,1,0,0,0,0|1,0,1]=3 2210 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [0,1,0,0,0,0|1,0,1]=3 2211 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [0,1,0,0,0,0|1,0,1]=3 2212 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [0,1,0,0,0,0|1,0,1]=3 2213 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [0,1,0,0,0,0|0,0,2]=3 2214 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [0,1,0,0,0,0|0,0,2]=3 2215 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [0,1,0,0,0,0|2,0,0]=3 2216 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [0,1,0,0,0,0|2,0,0]=3 2217 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [0,1,0,0,0,0|2,0,0]=3 2218 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [0,1,0,0,0,0|2,0,0]=3 2219 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [0,1,0,0,0,0|2,0,1]=4 2220 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [0,1,0,0,0,0|2,0,1]=4 2221 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [0,1,0,0,0,0|2,0,1]=4 2222 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [0,1,0,0,0,0|3,0,0]=4 2223 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [0,1,0,0,0,0|3,0,0]=4 2224 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [0,1,0,0,0,0|3,0,0]=4 2225 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [0,1,0,0,0,0|3,0,0]=4 2226 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [0,1,0,0,0,0|3,0,0]=4 2227 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [0,1,0,0,0,0|3,0,0]=4 2228 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [0,1,0,0,0,0|3,0,0]=4 2229 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [0,1,0,0,0,0|3,0,0]=4 2230 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [0,1,0,0,0,0|3,0,0]=4 2231 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [0,1,0,0,0,0|3,0,0]=4 2232 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [0,1,0,0,0,0|3,0,0]=4 2233 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [0,1,0,0,0,0|3,0,0]=4 2234 B11R1.83 CSCc1ccc(cc1)C#N 62a_200000210301_100000184898 [0,1,0,0,0,0|2,0,1]=4 2235 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [0,1,0,0,0,0|2,0,1]=4 2236 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [0,1,0,0,0,0|2,0,1]=4 2237 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [0,1,0,0,0,0|2,0,0]=3 2238 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [0,1,0,0,0,0|2,0,0]=3 2239 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [0,1,0,0,0,0|2,0,0]=3 2240 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [0,1,0,0,0,0|2,0,0]=3 2241 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [0,1,0,0,0,0|2,0,0]=3 2242 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [0,1,0,0,0,0|2,0,0]=3 2243 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [0,1,0,0,0,0|2,0,0]=3 2244 B11R1.83 CSCc1ccc(nc1)SC 62a_100000753673_200000210301 [0,1,0,0,0,0|3,0,0]=4 2245 B11R1.83 CSCc1ccc(nc1)SC 62a_200000210301_100000753673 [0,1,0,0,0,0|3,0,0]=4 2246 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_100000753673_200025704644 [0,1,0,0,0,0|3,0,0]=4 2247 B11R1.83 CSCc1ccc(nc1)S[13CH3] 62a_200025704644_100000753673 [0,1,0,0,0,0|3,0,0]=4 2248 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [0,1,0,0,0,0|1,0,1]=3 2249 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [0,1,0,0,0,0|1,0,1]=3 2250 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [0,1,0,0,0,0|1,0,1]=3 2251 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [0,1,0,0,0,0|1,0,1]=3 2252 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [0,1,0,0,0,0|0,0,0]=1 2253 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [0,1,0,0,0,0|0,0,0]=1 2254 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [0,1,0,0,0,0|1,0,1]=3 2255 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [0,1,0,0,0,0|1,0,1]=3 2256 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [0,1,0,0,0,0|0,0,2]=3 2257 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [0,1,0,0,0,0|0,0,2]=3 2258 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [0,1,0,0,0,0|2,0,0]=3 2259 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [0,1,0,0,0,0|2,0,0]=3 2260 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [0,1,0,0,0,0|2,0,0]=3 2261 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [0,1,0,0,0,0|2,0,0]=3 2262 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [0,1,0,0,0,0|2,0,0]=3 2263 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [0,1,0,0,0,0|2,0,0]=3 2264 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [0,1,0,0,0,0|2,0,0]=3 2265 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [0,1,0,0,0,0|2,0,0]=3 2266 B11R1.83 CSc1ccc(cc1)N=[N+]=[N-] 62a_200000210301_100000735661 [0,1,0,0,0,0|3,0,0]=4 2267 B11R1.83 CSc1ccc(cc1)NC#N 62a_200000210301_100011685341 [0,1,0,0,0,0|2,0,1]=4 2268 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [0,1,0,0,0,0|2,0,1]=4 2269 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [0,1,0,0,0,0|2,0,1]=4 2270 B11R1.83 CSc1ccc(cc1)SCF 62a_100011263217_100015361967 [0,1,0,0,0,0|2,0,1]=4 2271 B11R1.83 CSc1ccc(cc1)SCF 62a_100015361967_100011263217 [0,1,0,0,0,0|2,0,1]=4 2272 B11R1.83 CSc1ccc(cn1)CC#N 62a_100000747943_200000210301 [0,1,0,0,0,0|2,0,1]=4 2273 B11R1.83 CSc1ccc(cn1)CC#N 62a_200000210301_100000747943 [0,1,0,0,0,0|2,0,1]=4 2274 B11R1.83 CSc1ccc(cn1)CCO 62a_100009880866_200000210301 [0,1,0,0,0,0|1,0,2]=4 2275 B11R1.83 CSc1ccc(cn1)CCO 62a_200000210301_100009880866 [0,1,0,0,0,0|1,0,2]=4 2276 B11R1.83 CSc1ccc(cn1)CNN 62a_106726394036_200000210301 [0,1,0,0,0,0|3,0,0]=4 2277 B11R1.83 CSc1ccc(cn1)CNN 62a_200000210301_106726394036 [0,1,0,0,0,0|3,0,0]=4 2278 B11R1.83 CSc1ccc(nc1)CC#N 62a_100011824422_200000210301 [0,1,0,0,0,0|2,0,1]=4 2279 B11R1.83 CSc1ccc(nc1)CC#N 62a_200000210301_100011824422 [0,1,0,0,0,0|2,0,1]=4 2280 B11R1.83 CSc1ccc(nc1)CCO 62a_100012357577_200000210301 [0,1,0,0,0,0|1,0,2]=4 2281 B11R1.83 CSc1ccc(nc1)CCO 62a_200000210301_100012357577 [0,1,0,0,0,0|1,0,2]=4 2282 B11R1.83 FCSc1ccc(cc1)CF 62a_100010268989_100015361967 [0,1,0,0,0,0|2,0,1]=4 2283 B11R1.83 FCSc1ccc(cc1)CF 62a_100015361967_100010268989 [0,1,0,0,0,0|2,0,1]=4 2284 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [0,1,0,0,0,0|2,0,1]=4 2285 B11R1.83 NCc1ccc(cc1)SCF 62a_100015361967_100016989417 [0,1,0,0,0,0|2,0,1]=4 2286 B11R1.83 NCc1ccc(cc1)SCF 62a_100016989417_100015361967 [0,1,0,0,0,0|2,0,1]=4 2287 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [0,1,0,0,0,0|2,0,1]=4 2288 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [0,1,0,0,0,0|2,0,1]=4 2289 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [0,1,0,0,0,0|2,0,1]=4 2290 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [0,1,0,0,0,0|2,0,1]=4 2291 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [0,1,0,0,0,0|2,0,1]=4 2292 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [0,1,0,0,0,0|2,0,0]=3 2293 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [0,1,0,0,0,0|2,0,0]=3 2294 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [0,1,0,0,0,0|1,0,1]=3 2295 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [0,1,0,0,0,0|0,0,2]=3 2296 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [0,1,0,0,0,0|0,0,2]=3 2297 B11R1.83 [13CH3]Nc1ccc(cc1)N=[N+]=[N-] 2230a_100000032754_200025704644 [0,1,0,0,0,0|3,0,0]=4 2298 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [0,1,0,0,0,0|2,0,1]=4 2299 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [0,1,0,0,0,0|2,0,1]=4 2300 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [0,1,0,0,0,0|2,0,0]=3 2301 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [0,1,0,0,0,0|2,0,0]=3 2302 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [0,1,0,0,0,0|2,0,0]=3 2303 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [0,1,0,0,0,0|2,0,0]=3 2304 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [0,1,0,0,0,0|2,0,0]=3 2305 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [0,1,0,0,0,0|1,0,1]=3 2306 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [0,1,0,0,0,0|1,0,1]=3 2307 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [0,1,0,0,0,0|1,0,1]=3 2308 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [0,1,0,0,0,0|1,0,1]=3 2309 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [0,1,0,0,0,0|1,0,1]=3 2310 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [0,1,0,0,0,0|0,0,2]=3 2311 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [0,1,0,0,0,0|0,0,2]=3 2312 B11R1.83 [13CH3]SCc1ccc(cc1)C#N 62a_200025704644_100000184898 [0,1,0,0,0,0|2,0,1]=4 2313 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [0,1,0,0,0,0|2,0,1]=4 2314 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [0,1,0,0,0,0|2,0,1]=4 2315 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [0,1,0,0,0,0|2,0,0]=3 2316 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [0,1,0,0,0,0|2,0,0]=3 2317 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [0,1,0,0,0,0|1,0,1]=3 2318 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [0,1,0,0,0,0|1,0,1]=3 2319 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [0,1,0,0,0,0|1,0,1]=3 2320 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [0,1,0,0,0,0|1,0,1]=3 2321 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [0,1,0,0,0,0|0,0,0]=1 2322 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [0,1,0,0,0,0|0,0,0]=1 2323 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [0,1,0,0,0,0|1,0,1]=3 2324 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [0,1,0,0,0,0|1,0,1]=3 2325 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [0,1,0,0,0,0|0,0,2]=3 2326 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [0,1,0,0,0,0|0,0,2]=3 2327 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [0,1,0,0,0,0|2,0,0]=3 2328 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [0,1,0,0,0,0|2,0,0]=3 2329 B11R1.83 [13CH3]Sc1ccc(cc1)N=[N+]=[N-] 62a_200025704644_100000735661 [0,1,0,0,0,0|3,0,0]=4 2330 B11R1.83 [13CH3]Sc1ccc(cc1)NC#N 62a_200025704644_100011685341 [0,1,0,0,0,0|2,0,1]=4 2331 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_100000747943_200025704644 [0,1,0,0,0,0|2,0,1]=4 2332 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_200025704644_100000747943 [0,1,0,0,0,0|2,0,1]=4 2333 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_100009880866_200025704644 [0,1,0,0,0,0|1,0,2]=4 2334 B11R1.83 [13CH3]Sc1ccc(cn1)CCO 62a_200025704644_100009880866 [0,1,0,0,0,0|1,0,2]=4 2335 B11R1.83 [13CH3]Sc1ccc(cn1)CNN 62a_106726394036_200025704644 [0,1,0,0,0,0|3,0,0]=4 2336 B11R1.83 [13CH3]Sc1ccc(cn1)CNN 62a_200025704644_106726394036 [0,1,0,0,0,0|3,0,0]=4 2337 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_100011824422_200025704644 [0,1,0,0,0,0|2,0,1]=4 2338 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_200025704644_100011824422 [0,1,0,0,0,0|2,0,1]=4 2339 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_100012357577_200025704644 [0,1,0,0,0,0|1,0,2]=4 2340 B11R1.83 [13CH3]Sc1ccc(nc1)CCO 62a_200025704644_100012357577 [0,1,0,0,0,0|1,0,2]=4 2341 B11R1.192 C=C=Cc1ccc(c(c1)Br)C 271570a_100015277604_100011847877 [0,1,0,0,0,0|1,0,2]=4 2342 B11R1.192 C=C=Cc1ccc(c(c1)C)C 271570a_100015277604_100011215607 [0,1,0,0,0,0|1,0,2]=4 2343 B11R1.192 C=C=Cc1ccc(c(c1)Cl)C 271570a_100015277604_100011216363 [0,1,0,0,0,0|1,0,2]=4 2344 B11R1.192 C=C=Cc1ccc(c(c1)F)C 271570a_100015277604_100000720648 [0,1,0,0,0,0|1,0,2]=4 2345 B11R1.192 C=C=Cc1ccc(c(c1)N)C 271570a_100015277604_100000761890 [0,1,0,0,0,0|1,0,2]=4 2346 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [0,1,0,0,0,0|1,0,2]=4 2347 B11R1.192 CC=Cc1cc(c(cn1)C)C 271570a_100016259895_100009850809 [0,1,0,0,0,0|2,0,1]=4 2348 B11R1.192 CC=Cc1cc(c(cn1)C)F 271570a_100016259895_100009841206 [0,1,0,0,0,0|2,0,1]=4 2349 B11R1.192 CC=Cc1cc(c(cn1)C)N 271570a_100016259895_100000690170 [0,1,0,0,0,0|2,0,1]=4 2350 B11R1.192 CC=Cc1cc(c(cn1)C)O 271570a_100016259895_100000704368 [0,1,0,0,0,0|2,0,1]=4 2351 B11R1.192 CC=Cc1ccc([n+](c1)[O-])C 271570a_100016259895_100000703231 [0,1,0,0,0,0|2,0,1]=4 2352 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [0,1,0,0,0,0|2,0,1]=4 2353 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [0,1,0,0,0,0|1,0,1]=3 2354 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [0,1,0,0,0,0|2,0,1]=4 2355 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [0,1,0,0,0,0|2,0,1]=4 2356 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [0,1,0,0,0,0|2,0,1]=4 2357 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [0,1,0,0,0,0|2,0,1]=4 2358 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [0,1,0,0,0,0|2,0,1]=4 2359 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [0,1,0,0,0,0|1,0,1]=3 2360 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [0,1,0,0,0,0|2,0,1]=4 2361 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [0,1,0,0,0,0|2,0,1]=4 2362 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [0,1,0,0,0,0|2,0,1]=4 2363 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [0,1,0,0,0,0|2,0,1]=4 2364 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [0,1,0,0,0,0|2,0,1]=4 2365 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [0,1,0,0,0,0|1,0,1]=3 2366 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [0,1,0,0,0,0|2,0,1]=4 2367 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [0,1,0,0,0,0|2,0,1]=4 2368 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [0,1,0,0,0,0|2,0,1]=4 2369 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [0,1,0,0,0,0|2,0,1]=4 2370 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [0,1,0,0,0,0|2,0,1]=4 2371 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [0,1,0,0,0,0|1,0,1]=3 2372 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [0,1,0,0,0,0|2,0,1]=4 2373 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [0,1,0,0,0,0|2,0,1]=4 2374 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [0,1,0,0,0,0|2,0,1]=4 2375 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [0,1,0,0,0,0|2,0,1]=4 2376 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [0,1,0,0,0,0|2,0,1]=4 2377 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [0,1,0,0,0,0|1,0,1]=3 2378 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [0,1,0,0,0,0|2,0,1]=4 2379 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [0,1,0,0,0,0|2,0,1]=4 2380 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [0,1,0,0,0,0|2,0,1]=4 2381 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [0,1,0,0,0,0|2,0,1]=4 2382 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [0,1,0,0,0,0|2,0,1]=4 2383 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [0,1,0,0,0,0|1,0,1]=3 2384 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [0,1,0,0,0,0|2,0,1]=4 2385 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [0,1,0,0,0,0|2,0,1]=4 2386 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [0,1,0,0,0,0|2,0,1]=4 2387 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [0,1,0,0,0,0|2,0,1]=4 2388 B11R1.192 CC=Cc1ccc(c(n1)C)C 271570a_100016259895_100000103781 [0,1,0,0,0,0|2,0,1]=4 2389 B11R1.192 CC=Cc1ccc(c(n1)N)C 271570a_100016259895_100009857032 [0,1,0,0,0,0|2,0,1]=4 2390 B11R1.192 CC=Cc1ccn(c(=O)c1)C 271570a_100016259895_100009820031 [0,1,0,0,0,0|2,0,1]=4 2391 B11R1.192 CC=Cc1cnc(c(c1)C)C 271570a_100016259895_100000697892 [0,1,0,0,0,0|2,0,1]=4 2392 B11R1.192 CC=Cc1cnc(c(c1)F)C 271570a_100016259895_100009845756 [0,1,0,0,0,0|2,0,1]=4 2393 B11R1.192 CC=Cc1cnc(c(c1)N)C 271570a_100016259895_100011999542 [0,1,0,0,0,0|2,0,1]=4 2394 B11R1.192 CC=Cc1cnc(c(c1)O)C 271570a_100016259895_100009864810 [0,1,0,0,0,0|2,0,1]=4 2395 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [0,1,0,0,0,0|2,0,1]=4 2396 B11R1.192 CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210202 [0,1,0,0,0,0|2,0,1]=4 2397 B11R1.192 CCNc1ccc(c(c1)Br)C 34a_100000736455_100000210202 [0,1,0,0,0,0|2,0,1]=4 2398 B11R1.192 CCNc1ccc(c(c1)Br)C 7a_100000736455_100000210202 [0,1,0,0,0,0|2,0,1]=4 2399 B11R1.192 CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210202 [0,1,0,0,0,0|2,0,1]=4 2400 B11R1.192 CCNc1ccc(c(c1)C)C 34a_100000724040_100000210202 [0,1,0,0,0,0|2,0,1]=4 2401 B11R1.192 CCNc1ccc(c(c1)C)C 7a_100000724040_100000210202 [0,1,0,0,0,0|2,0,1]=4 2402 B11R1.192 CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210202 [0,1,0,0,0,0|2,0,1]=4 2403 B11R1.192 CCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210202 [0,1,0,0,0,0|2,0,1]=4 2404 B11R1.192 CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210202 [0,1,0,0,0,0|2,0,1]=4 2405 B11R1.192 CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210202 [0,1,0,0,0,0|2,0,1]=4 2406 B11R1.192 CCNc1ccc(c(c1)F)C 34a_100000210958_100000210202 [0,1,0,0,0,0|2,0,1]=4 2407 B11R1.192 CCNc1ccc(c(c1)F)C 7a_100000210958_100000210202 [0,1,0,0,0,0|2,0,1]=4 2408 B11R1.192 CCNc1ccc(c(c1)I)C 34a_100000184131_100000210202 [0,1,0,0,0,0|2,0,1]=4 2409 B11R1.192 CCNc1ccc(c(c1)I)C 7a_100000184131_100000210202 [0,1,0,0,0,0|2,0,1]=4 2410 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [0,1,0,0,0,0|2,0,1]=4 2411 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [0,1,0,0,0,0|2,0,1]=4 2412 B11R1.192 CCOc1ccc(c(c1)Br)C 34a_100011380479_100000210202 [0,1,0,0,0,0|2,0,1]=4 2413 B11R1.192 CCOc1ccc(c(c1)Br)C 7a_100011380479_100000210202 [0,1,0,0,0,0|2,0,1]=4 2414 B11R1.192 CCOc1ccc(c(c1)C)C 34a_100000210932_100000210202 [0,1,0,0,0,0|2,0,1]=4 2415 B11R1.192 CCOc1ccc(c(c1)C)C 7a_100000210932_100000210202 [0,1,0,0,0,0|2,0,1]=4 2416 B11R1.192 CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210202 [0,1,0,0,0,0|2,0,1]=4 2417 B11R1.192 CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210202 [0,1,0,0,0,0|2,0,1]=4 2418 B11R1.192 CCOc1ccc(c(c1)F)C 34a_100000722560_100000210202 [0,1,0,0,0,0|2,0,1]=4 2419 B11R1.192 CCOc1ccc(c(c1)F)C 7a_100000722560_100000210202 [0,1,0,0,0,0|2,0,1]=4 2420 B11R1.192 CCOc1ccc(c(c1)N)C 34a_100011216113_100000210202 [0,1,0,0,0,0|2,0,1]=4 2421 B11R1.192 CCOc1ccc(c(c1)N)C 7a_100011216113_100000210202 [0,1,0,0,0,0|2,0,1]=4 2422 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [0,1,0,0,0,0|2,0,1]=4 2423 B11R1.192 CCSc1ccc(c(c1)Br)C 62a_100000210202_100011847877 [0,1,0,0,0,0|2,0,1]=4 2424 B11R1.192 CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210202 [0,1,0,0,0,0|2,0,1]=4 2425 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100000210202_100011215607 [0,1,0,0,0,0|2,0,1]=4 2426 B11R1.192 CCSc1ccc(c(c1)C)C 62a_100011215607_100000210202 [0,1,0,0,0,0|2,0,1]=4 2427 B11R1.192 CCSc1ccc(c(c1)Cl)C 62a_100000210202_100011216363 [0,1,0,0,0,0|2,0,1]=4 2428 B11R1.192 CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210202 [0,1,0,0,0,0|2,0,1]=4 2429 B11R1.192 CCSc1ccc(c(c1)F)C 62a_100000210202_100000720648 [0,1,0,0,0,0|2,0,1]=4 2430 B11R1.192 CCSc1ccc(c(c1)F)C 62a_100000720648_100000210202 [0,1,0,0,0,0|2,0,1]=4 2431 B11R1.192 CCSc1ccc(c(c1)N)C 62a_100000210202_100000761890 [0,1,0,0,0,0|2,0,1]=4 2432 B11R1.192 CCSc1ccc(c(c1)N)C 62a_100000761890_100000210202 [0,1,0,0,0,0|2,0,1]=4 2433 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [0,1,0,0,0,0|2,0,1]=4 2434 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [0,1,0,0,0,0|2,0,1]=4 2435 B11R1.192 CNCc1cc(c(cn1)C)Br 207a_100102657272_100010174032 [0,1,0,0,0,0|3,0,0]=4 2436 B11R1.192 CNCc1cc(c(cn1)C)Br 270004a_106832991635_100010174032 [0,1,0,0,0,0|3,0,0]=4 2437 B11R1.192 CNCc1ccc(c(c1)Br)Br 207a_100102657272_100011215943 [0,1,0,0,0,0|3,0,0]=4 2438 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_100012351559_200000210301 [0,1,0,0,0,0|3,0,0]=4 2439 B11R1.192 CNCc1ccc(c(c1)Br)Br 2230a_106832991635_100012353900 [0,1,0,0,0,0|3,0,0]=4 2440 B11R1.192 CNCc1ccc(c(c1)Br)Br 270004a_106832991635_100011215943 [0,1,0,0,0,0|3,0,0]=4 2441 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100012351559_200000210301 [0,1,0,0,0,0|3,0,0]=4 2442 B11R1.192 CNCc1ccc(c(c1)Br)Br 34a_100102657272_100012353900 [0,1,0,0,0,0|3,0,0]=4 2443 B11R1.192 CNCc1ccc(c(c1)Br)Br 7a_106832991635_100012353900 [0,1,0,0,0,0|3,0,0]=4 2444 B11R1.192 CNCc1ccc(c(c1)Br)C 207a_100102657272_100000695567 [0,1,0,0,0,0|2,0,0]=3 2445 B11R1.192 CNCc1ccc(c(c1)Br)C 2230a_106832991635_100012232412 [0,1,0,0,0,0|2,0,0]=3 2446 B11R1.192 CNCc1ccc(c(c1)Br)C 26a_100102657272_100011380479 [0,1,0,0,0,0|2,0,0]=3 2447 B11R1.192 CNCc1ccc(c(c1)Br)C 270004a_106832991635_100000695567 [0,1,0,0,0,0|2,0,0]=3 2448 B11R1.192 CNCc1ccc(c(c1)Br)C 34a_100102657272_100012232412 [0,1,0,0,0,0|2,0,0]=3 2449 B11R1.192 CNCc1ccc(c(c1)Br)C 7a_106832991635_100012232412 [0,1,0,0,0,0|2,0,0]=3 2450 B11R1.192 CNCc1ccc(c(c1)Br)Cl 207a_100102657272_100000693810 [0,1,0,0,0,0|3,0,0]=4 2451 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_100012349490_200000210301 [0,1,0,0,0,0|3,0,0]=4 2452 B11R1.192 CNCc1ccc(c(c1)Br)Cl 2230a_106832991635_100012353894 [0,1,0,0,0,0|3,0,0]=4 2453 B11R1.192 CNCc1ccc(c(c1)Br)Cl 26a_100102657272_100011933957 [0,1,0,0,0,0|3,0,0]=4 2454 B11R1.192 CNCc1ccc(c(c1)Br)Cl 270004a_106832991635_100000693810 [0,1,0,0,0,0|3,0,0]=4 2455 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100012349490_200000210301 [0,1,0,0,0,0|3,0,0]=4 2456 B11R1.192 CNCc1ccc(c(c1)Br)Cl 34a_100102657272_100012353894 [0,1,0,0,0,0|3,0,0]=4 2457 B11R1.192 CNCc1ccc(c(c1)Br)Cl 7a_106832991635_100012353894 [0,1,0,0,0,0|3,0,0]=4 2458 B11R1.192 CNCc1ccc(c(c1)Br)F 207a_100102657272_100000211747 [0,1,0,0,0,0|3,0,0]=4 2459 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_100015193890_200000210301 [0,1,0,0,0,0|3,0,0]=4 2460 B11R1.192 CNCc1ccc(c(c1)Br)F 2230a_106832991635_100011206884 [0,1,0,0,0,0|3,0,0]=4 2461 B11R1.192 CNCc1ccc(c(c1)Br)F 26a_100102657272_100000693481 [0,1,0,0,0,0|3,0,0]=4 2462 B11R1.192 CNCc1ccc(c(c1)Br)F 270004a_106832991635_100000211747 [0,1,0,0,0,0|3,0,0]=4 2463 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100015193890_200000210301 [0,1,0,0,0,0|3,0,0]=4 2464 B11R1.192 CNCc1ccc(c(c1)Br)F 34a_100102657272_100011206884 [0,1,0,0,0,0|3,0,0]=4 2465 B11R1.192 CNCc1ccc(c(c1)Br)F 7a_106832991635_100011206884 [0,1,0,0,0,0|3,0,0]=4 2466 B11R1.192 CNCc1ccc(c(c1)Br)I 26a_100102657272_100000701344 [0,1,0,0,0,0|3,0,0]=4 2467 B11R1.192 CNCc1ccc(c(c1)C)Br 207a_100102657272_100000765772 [0,1,0,0,0,0|3,0,0]=4 2468 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_100015205234_200000210301 [0,1,0,0,0,0|3,0,0]=4 2469 B11R1.192 CNCc1ccc(c(c1)C)Br 2230a_106832991635_100000727479 [0,1,0,0,0,0|3,0,0]=4 2470 B11R1.192 CNCc1ccc(c(c1)C)Br 26a_100102657272_100000690111 [0,1,0,0,0,0|3,0,0]=4 2471 B11R1.192 CNCc1ccc(c(c1)C)Br 270004a_106832991635_100000765772 [0,1,0,0,0,0|3,0,0]=4 2472 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100015205234_200000210301 [0,1,0,0,0,0|3,0,0]=4 2473 B11R1.192 CNCc1ccc(c(c1)C)Br 34a_100102657272_100000727479 [0,1,0,0,0,0|3,0,0]=4 2474 B11R1.192 CNCc1ccc(c(c1)C)Br 7a_106832991635_100000727479 [0,1,0,0,0,0|3,0,0]=4 2475 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [0,1,0,0,0,0|2,0,0]=3 2476 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [0,1,0,0,0,0|2,0,0]=3 2477 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [0,1,0,0,0,0|2,0,0]=3 2478 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [0,1,0,0,0,0|2,0,0]=3 2479 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [0,1,0,0,0,0|2,0,0]=3 2480 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [0,1,0,0,0,0|2,0,0]=3 2481 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [0,1,0,0,0,0|2,0,0]=3 2482 B11R1.192 CNCc1ccc(c(c1)C)Cl 207a_100102657272_100000698814 [0,1,0,0,0,0|3,0,0]=4 2483 B11R1.192 CNCc1ccc(c(c1)C)Cl 2230a_106832991635_100012184735 [0,1,0,0,0,0|3,0,0]=4 2484 B11R1.192 CNCc1ccc(c(c1)C)Cl 26a_100102657272_100000211092 [0,1,0,0,0,0|3,0,0]=4 2485 B11R1.192 CNCc1ccc(c(c1)C)Cl 270004a_106832991635_100000698814 [0,1,0,0,0,0|3,0,0]=4 2486 B11R1.192 CNCc1ccc(c(c1)C)Cl 34a_100102657272_100012184735 [0,1,0,0,0,0|3,0,0]=4 2487 B11R1.192 CNCc1ccc(c(c1)C)Cl 7a_106832991635_100012184735 [0,1,0,0,0,0|3,0,0]=4 2488 B11R1.192 CNCc1ccc(c(c1)C)F 207a_100102657272_100000748208 [0,1,0,0,0,0|3,0,0]=4 2489 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_100000239911_200000210301 [0,1,0,0,0,0|3,0,0]=4 2490 B11R1.192 CNCc1ccc(c(c1)C)F 2230a_106832991635_100011216667 [0,1,0,0,0,0|3,0,0]=4 2491 B11R1.192 CNCc1ccc(c(c1)C)F 270004a_106832991635_100000748208 [0,1,0,0,0,0|3,0,0]=4 2492 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100000239911_200000210301 [0,1,0,0,0,0|3,0,0]=4 2493 B11R1.192 CNCc1ccc(c(c1)C)F 34a_100102657272_100011216667 [0,1,0,0,0,0|3,0,0]=4 2494 B11R1.192 CNCc1ccc(c(c1)C)F 7a_106832991635_100011216667 [0,1,0,0,0,0|3,0,0]=4 2495 B11R1.192 CNCc1ccc(c(c1)Cl)Br 207a_100102657272_100000690054 [0,1,0,0,0,0|3,0,0]=4 2496 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_100012362553_200000210301 [0,1,0,0,0,0|3,0,0]=4 2497 B11R1.192 CNCc1ccc(c(c1)Cl)Br 2230a_106832991635_100012353895 [0,1,0,0,0,0|3,0,0]=4 2498 B11R1.192 CNCc1ccc(c(c1)Cl)Br 26a_100102657272_100011215161 [0,1,0,0,0,0|3,0,0]=4 2499 B11R1.192 CNCc1ccc(c(c1)Cl)Br 270004a_106832991635_100000690054 [0,1,0,0,0,0|3,0,0]=4 2500 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100012362553_200000210301 [0,1,0,0,0,0|3,0,0]=4 2501 B11R1.192 CNCc1ccc(c(c1)Cl)Br 34a_100102657272_100012353895 [0,1,0,0,0,0|3,0,0]=4 2502 B11R1.192 CNCc1ccc(c(c1)Cl)Br 7a_106832991635_100012353895 [0,1,0,0,0,0|3,0,0]=4 2503 B11R1.192 CNCc1ccc(c(c1)Cl)C 207a_100102657272_100000760539 [0,1,0,0,0,0|2,0,0]=3 2504 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_102495364989_200000210301 [0,1,0,0,0,0|2,0,0]=3 2505 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_106832991635_100011823929 [0,1,0,0,0,0|2,0,0]=3 2506 B11R1.192 CNCc1ccc(c(c1)Cl)C 26a_100102657272_100011265682 [0,1,0,0,0,0|2,0,0]=3 2507 B11R1.192 CNCc1ccc(c(c1)Cl)C 270004a_106832991635_100000760539 [0,1,0,0,0,0|2,0,0]=3 2508 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_100102657272_100011823929 [0,1,0,0,0,0|2,0,0]=3 2509 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_102495364989_200000210301 [0,1,0,0,0,0|2,0,0]=3 2510 B11R1.192 CNCc1ccc(c(c1)Cl)C 7a_106832991635_100011823929 [0,1,0,0,0,0|2,0,0]=3 2511 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 207a_100102657272_100000188533 [0,1,0,0,0,0|3,0,0]=4 2512 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200000210301 [0,1,0,0,0,0|3,0,0]=4 2513 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100000184707 [0,1,0,0,0,0|3,0,0]=4 2514 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 26a_100102657272_100000211054 [0,1,0,0,0,0|3,0,0]=4 2515 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 270004a_106832991635_100000188533 [0,1,0,0,0,0|3,0,0]=4 2516 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100000174881_200000210301 [0,1,0,0,0,0|3,0,0]=4 2517 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 34a_100102657272_100000184707 [0,1,0,0,0,0|3,0,0]=4 2518 B11R1.192 CNCc1ccc(c(c1)Cl)Cl 7a_106832991635_100000184707 [0,1,0,0,0,0|3,0,0]=4 2519 B11R1.192 CNCc1ccc(c(c1)Cl)F 207a_100102657272_100000742290 [0,1,0,0,0,0|3,0,0]=4 2520 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_100000749334_200000210301 [0,1,0,0,0,0|3,0,0]=4 2521 B11R1.192 CNCc1ccc(c(c1)Cl)F 2230a_106832991635_100000717365 [0,1,0,0,0,0|3,0,0]=4 2522 B11R1.192 CNCc1ccc(c(c1)Cl)F 26a_100102657272_100000211030 [0,1,0,0,0,0|3,0,0]=4 2523 B11R1.192 CNCc1ccc(c(c1)Cl)F 270004a_106832991635_100000742290 [0,1,0,0,0,0|3,0,0]=4 2524 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100000749334_200000210301 [0,1,0,0,0,0|3,0,0]=4 2525 B11R1.192 CNCc1ccc(c(c1)Cl)F 34a_100102657272_100011934319 [0,1,0,0,0,0|3,0,0]=4 2526 B11R1.192 CNCc1ccc(c(c1)Cl)F 7a_106832991635_100000717365 [0,1,0,0,0,0|3,0,0]=4 2527 B11R1.192 CNCc1ccc(c(c1)Cl)I 2230a_106832991635_100012349665 [0,1,0,0,0,0|3,0,0]=4 2528 B11R1.192 CNCc1ccc(c(c1)Cl)I 26a_100102657272_100000047559 [0,1,0,0,0,0|3,0,0]=4 2529 B11R1.192 CNCc1ccc(c(c1)Cl)I 34a_100102657272_100012349665 [0,1,0,0,0,0|3,0,0]=4 2530 B11R1.192 CNCc1ccc(c(c1)Cl)I 7a_106832991635_100012349665 [0,1,0,0,0,0|3,0,0]=4 2531 B11R1.192 CNCc1ccc(c(c1)F)Br 207a_100102657272_100000686674 [0,1,0,0,0,0|3,0,0]=4 2532 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_100000755036_200000210301 [0,1,0,0,0,0|3,0,0]=4 2533 B11R1.192 CNCc1ccc(c(c1)F)Br 2230a_106832991635_100000767054 [0,1,0,0,0,0|3,0,0]=4 2534 B11R1.192 CNCc1ccc(c(c1)F)Br 26a_100102657272_100000755031 [0,1,0,0,0,0|3,0,0]=4 2535 B11R1.192 CNCc1ccc(c(c1)F)Br 270004a_106832991635_100000686674 [0,1,0,0,0,0|3,0,0]=4 2536 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100000755036_200000210301 [0,1,0,0,0,0|3,0,0]=4 2537 B11R1.192 CNCc1ccc(c(c1)F)Br 34a_100102657272_100000767054 [0,1,0,0,0,0|3,0,0]=4 2538 B11R1.192 CNCc1ccc(c(c1)F)Br 7a_106832991635_100000767054 [0,1,0,0,0,0|3,0,0]=4 2539 B11R1.192 CNCc1ccc(c(c1)F)C 207a_100102657272_100000753222 [0,1,0,0,0,0|2,0,0]=3 2540 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_100102708794_200000210301 [0,1,0,0,0,0|2,0,0]=3 2541 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_106832991635_100011217369 [0,1,0,0,0,0|2,0,0]=3 2542 B11R1.192 CNCc1ccc(c(c1)F)C 270004a_106832991635_100000753222 [0,1,0,0,0,0|2,0,0]=3 2543 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102657272_100011217369 [0,1,0,0,0,0|2,0,0]=3 2544 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102708794_200000210301 [0,1,0,0,0,0|2,0,0]=3 2545 B11R1.192 CNCc1ccc(c(c1)F)C 7a_106832991635_100011217369 [0,1,0,0,0,0|2,0,0]=3 2546 B11R1.192 CNCc1ccc(c(c1)F)Cl 207a_100102657272_100000745630 [0,1,0,0,0,0|3,0,0]=4 2547 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_100011219866_200000210301 [0,1,0,0,0,0|3,0,0]=4 2548 B11R1.192 CNCc1ccc(c(c1)F)Cl 2230a_106832991635_100000716492 [0,1,0,0,0,0|3,0,0]=4 2549 B11R1.192 CNCc1ccc(c(c1)F)Cl 26a_100102657272_100000691581 [0,1,0,0,0,0|3,0,0]=4 2550 B11R1.192 CNCc1ccc(c(c1)F)Cl 270004a_106832991635_100000745630 [0,1,0,0,0,0|3,0,0]=4 2551 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100011219866_200000210301 [0,1,0,0,0,0|3,0,0]=4 2552 B11R1.192 CNCc1ccc(c(c1)F)Cl 34a_100102657272_100011519011 [0,1,0,0,0,0|3,0,0]=4 2553 B11R1.192 CNCc1ccc(c(c1)F)Cl 7a_106832991635_100000716492 [0,1,0,0,0,0|3,0,0]=4 2554 B11R1.192 CNCc1ccc(c(c1)F)F 207a_100102657272_100000211062 [0,1,0,0,0,0|3,0,0]=4 2555 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_100000737897_200000210301 [0,1,0,0,0,0|3,0,0]=4 2556 B11R1.192 CNCc1ccc(c(c1)F)F 2230a_106832991635_100000757363 [0,1,0,0,0,0|3,0,0]=4 2557 B11R1.192 CNCc1ccc(c(c1)F)F 270004a_106832991635_100000211062 [0,1,0,0,0,0|3,0,0]=4 2558 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100000737897_200000210301 [0,1,0,0,0,0|3,0,0]=4 2559 B11R1.192 CNCc1ccc(c(c1)F)F 34a_100102657272_100000757363 [0,1,0,0,0,0|3,0,0]=4 2560 B11R1.192 CNCc1ccc(c(c1)F)F 7a_106832991635_100000757363 [0,1,0,0,0,0|3,0,0]=4 2561 B11R1.192 CNCc1ccc(c(c1)F)I 207a_100102657272_100000050832 [0,1,0,0,0,0|3,0,0]=4 2562 B11R1.192 CNCc1ccc(c(c1)F)I 2230a_106832991635_100010149604 [0,1,0,0,0,0|3,0,0]=4 2563 B11R1.192 CNCc1ccc(c(c1)F)I 270004a_106832991635_100000050832 [0,1,0,0,0,0|3,0,0]=4 2564 B11R1.192 CNCc1ccc(c(c1)F)I 34a_100102657272_100010149604 [0,1,0,0,0,0|3,0,0]=4 2565 B11R1.192 CNCc1ccc(c(c1)F)I 7a_106832991635_100010149604 [0,1,0,0,0,0|3,0,0]=4 2566 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [0,1,0,0,0,0|3,0,0]=4 2567 B11R1.192 CNCc1ccc(c(c1)I)Br 207a_100102657272_100010146563 [0,1,0,0,0,0|3,0,0]=4 2568 B11R1.192 CNCc1ccc(c(c1)I)Br 2230a_106832991635_100010146616 [0,1,0,0,0,0|3,0,0]=4 2569 B11R1.192 CNCc1ccc(c(c1)I)Br 26a_100102657272_100012339312 [0,1,0,0,0,0|3,0,0]=4 2570 B11R1.192 CNCc1ccc(c(c1)I)Br 270004a_106832991635_100010146563 [0,1,0,0,0,0|3,0,0]=4 2571 B11R1.192 CNCc1ccc(c(c1)I)Br 34a_100102657272_100010146616 [0,1,0,0,0,0|3,0,0]=4 2572 B11R1.192 CNCc1ccc(c(c1)I)Br 7a_106832991635_100010146616 [0,1,0,0,0,0|3,0,0]=4 2573 B11R1.192 CNCc1ccc(c(c1)I)C 207a_100102657272_100010197721 [0,1,0,0,0,0|2,0,0]=3 2574 B11R1.192 CNCc1ccc(c(c1)I)C 2230a_106832991635_100010206137 [0,1,0,0,0,0|2,0,0]=3 2575 B11R1.192 CNCc1ccc(c(c1)I)C 270004a_106832991635_100010197721 [0,1,0,0,0,0|2,0,0]=3 2576 B11R1.192 CNCc1ccc(c(c1)I)C 34a_100102657272_100010206137 [0,1,0,0,0,0|2,0,0]=3 2577 B11R1.192 CNCc1ccc(c(c1)I)C 7a_106832991635_100010206137 [0,1,0,0,0,0|2,0,0]=3 2578 B11R1.192 CNCc1ccc(c(c1)I)Cl 207a_100102657272_100010209939 [0,1,0,0,0,0|3,0,0]=4 2579 B11R1.192 CNCc1ccc(c(c1)I)Cl 26a_100102657272_100000049588 [0,1,0,0,0,0|3,0,0]=4 2580 B11R1.192 CNCc1ccc(c(c1)I)Cl 270004a_106832991635_100010209939 [0,1,0,0,0,0|3,0,0]=4 2581 B11R1.192 CNCc1ccc(c(c1)I)F 207a_100102657272_100010188209 [0,1,0,0,0,0|3,0,0]=4 2582 B11R1.192 CNCc1ccc(c(c1)I)F 2230a_106832991635_100010188208 [0,1,0,0,0,0|3,0,0]=4 2583 B11R1.192 CNCc1ccc(c(c1)I)F 270004a_106832991635_100010188209 [0,1,0,0,0,0|3,0,0]=4 2584 B11R1.192 CNCc1ccc(c(c1)I)F 34a_100102657272_100010188208 [0,1,0,0,0,0|3,0,0]=4 2585 B11R1.192 CNCc1ccc(c(c1)I)F 7a_106832991635_100010188208 [0,1,0,0,0,0|3,0,0]=4 2586 B11R1.192 CNCc1ccc(c(c1)O)Cl 34a_100020636435_200000210301 [0,1,0,0,0,0|3,0,0]=4 2587 B11R1.192 CNCc1ccc(c(c1)O)F 34a_100160469508_200000210301 [0,1,0,0,0,0|3,0,0]=4 2588 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [0,1,0,0,0,0|3,0,0]=4 2589 B11R1.192 CNCc1ccc(c(n1)C)C 2230a_202515432893_200000210301 [0,1,0,0,0,0|3,0,0]=4 2590 B11R1.192 CNCc1ccc(c(n1)C)C 34a_202515432893_200000210301 [0,1,0,0,0,0|3,0,0]=4 2591 B11R1.192 COCc1cc(c(cn1)C)Br 34a_100010113723_200000210301 [0,1,0,0,0,0|3,0,0]=4 2592 B11R1.192 COCc1cc(c(cn1)C)Br 7a_100010113723_200000210301 [0,1,0,0,0,0|3,0,0]=4 2593 B11R1.192 COCc1cc(c(cn1)C)Cl 34a_200000144627_200000210301 [0,1,0,0,0,0|3,0,0]=4 2594 B11R1.192 COCc1cc(c(cn1)C)Cl 7a_200000144627_200000210301 [0,1,0,0,0,0|3,0,0]=4 2595 B11R1.192 COCc1ccc(c(c1)Br)Br 34a_100138415774_100012353900 [0,1,0,0,0,0|3,0,0]=4 2596 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [0,1,0,0,0,0|2,0,0]=3 2597 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [0,1,0,0,0,0|2,0,0]=3 2598 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [0,1,0,0,0,0|2,0,0]=3 2599 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100012353893_200000210301 [0,1,0,0,0,0|3,0,0]=4 2600 B11R1.192 COCc1ccc(c(c1)Br)Cl 34a_100138415774_100012353894 [0,1,0,0,0,0|3,0,0]=4 2601 B11R1.192 COCc1ccc(c(c1)Br)Cl 7a_100012353893_200000210301 [0,1,0,0,0,0|3,0,0]=4 2602 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100000246287_200000210301 [0,1,0,0,0,0|3,0,0]=4 2603 B11R1.192 COCc1ccc(c(c1)Br)F 34a_100138415774_100011206884 [0,1,0,0,0,0|3,0,0]=4 2604 B11R1.192 COCc1ccc(c(c1)Br)F 7a_100000246287_200000210301 [0,1,0,0,0,0|3,0,0]=4 2605 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100000718852_200000210301 [0,1,0,0,0,0|3,0,0]=4 2606 B11R1.192 COCc1ccc(c(c1)C)Br 34a_100138415774_100000727479 [0,1,0,0,0,0|3,0,0]=4 2607 B11R1.192 COCc1ccc(c(c1)C)Br 7a_100000718852_200000210301 [0,1,0,0,0,0|3,0,0]=4 2608 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [0,1,0,0,0,0|2,0,0]=3 2609 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [0,1,0,0,0,0|2,0,0]=3 2610 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [0,1,0,0,0,0|2,0,0]=3 2611 B11R1.192 COCc1ccc(c(c1)C)Cl 34a_100138415774_100012184735 [0,1,0,0,0,0|3,0,0]=4 2612 B11R1.192 COCc1ccc(c(c1)C)F 34a_100011219793_200000210301 [0,1,0,0,0,0|3,0,0]=4 2613 B11R1.192 COCc1ccc(c(c1)C)F 34a_100138415774_100011216667 [0,1,0,0,0,0|3,0,0]=4 2614 B11R1.192 COCc1ccc(c(c1)C)F 7a_100011219793_200000210301 [0,1,0,0,0,0|3,0,0]=4 2615 B11R1.192 COCc1ccc(c(c1)C)N 34a_200011997030_200000210301 [0,1,0,0,0,0|3,0,0]=4 2616 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100000709168_200000210301 [0,1,0,0,0,0|3,0,0]=4 2617 B11R1.192 COCc1ccc(c(c1)Cl)Br 34a_100138415774_100012353895 [0,1,0,0,0,0|3,0,0]=4 2618 B11R1.192 COCc1ccc(c(c1)Cl)Br 7a_100000709168_200000210301 [0,1,0,0,0,0|3,0,0]=4 2619 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [0,1,0,0,0,0|2,0,0]=3 2620 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [0,1,0,0,0,0|2,0,0]=3 2621 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [0,1,0,0,0,0|2,0,0]=3 2622 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100000211588_200000210301 [0,1,0,0,0,0|3,0,0]=4 2623 B11R1.192 COCc1ccc(c(c1)Cl)Cl 34a_100138415774_100000184707 [0,1,0,0,0,0|3,0,0]=4 2624 B11R1.192 COCc1ccc(c(c1)Cl)Cl 7a_100000211588_200000210301 [0,1,0,0,0,0|3,0,0]=4 2625 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100011217911_200000210301 [0,1,0,0,0,0|3,0,0]=4 2626 B11R1.192 COCc1ccc(c(c1)Cl)F 34a_100138415774_100011934319 [0,1,0,0,0,0|3,0,0]=4 2627 B11R1.192 COCc1ccc(c(c1)Cl)F 7a_100011217911_200000210301 [0,1,0,0,0,0|3,0,0]=4 2628 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100000718186_200000210301 [0,1,0,0,0,0|3,0,0]=4 2629 B11R1.192 COCc1ccc(c(c1)Cl)I 34a_100138415774_100012349665 [0,1,0,0,0,0|3,0,0]=4 2630 B11R1.192 COCc1ccc(c(c1)Cl)I 7a_100000718186_200000210301 [0,1,0,0,0,0|3,0,0]=4 2631 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100011533735_200000210301 [0,1,0,0,0,0|3,0,0]=4 2632 B11R1.192 COCc1ccc(c(c1)F)Br 34a_100138415774_100000767054 [0,1,0,0,0,0|3,0,0]=4 2633 B11R1.192 COCc1ccc(c(c1)F)Br 7a_100011533735_200000210301 [0,1,0,0,0,0|3,0,0]=4 2634 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [0,1,0,0,0,0|2,0,0]=3 2635 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [0,1,0,0,0,0|2,0,0]=3 2636 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [0,1,0,0,0,0|2,0,0]=3 2637 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100011218299_200000210301 [0,1,0,0,0,0|3,0,0]=4 2638 B11R1.192 COCc1ccc(c(c1)F)Cl 34a_100138415774_100011519011 [0,1,0,0,0,0|3,0,0]=4 2639 B11R1.192 COCc1ccc(c(c1)F)Cl 7a_100011218299_200000210301 [0,1,0,0,0,0|3,0,0]=4 2640 B11R1.192 COCc1ccc(c(c1)F)F 34a_100011215442_200000210301 [0,1,0,0,0,0|3,0,0]=4 2641 B11R1.192 COCc1ccc(c(c1)F)F 34a_100138415774_100000757363 [0,1,0,0,0,0|3,0,0]=4 2642 B11R1.192 COCc1ccc(c(c1)F)F 7a_100011215442_200000210301 [0,1,0,0,0,0|3,0,0]=4 2643 B11R1.192 COCc1ccc(c(c1)F)I 34a_100010149597_200000210301 [0,1,0,0,0,0|3,0,0]=4 2644 B11R1.192 COCc1ccc(c(c1)F)I 34a_100138415774_100010149604 [0,1,0,0,0,0|3,0,0]=4 2645 B11R1.192 COCc1ccc(c(c1)F)I 7a_100010149597_200000210301 [0,1,0,0,0,0|3,0,0]=4 2646 B11R1.192 COCc1ccc(c(c1)F)N 34a_100011217239_200000210301 [0,1,0,0,0,0|3,0,0]=4 2647 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [0,1,0,0,0,0|3,0,0]=4 2648 B11R1.192 COCc1ccc(c(c1)I)Br 34a_100138415774_100010146616 [0,1,0,0,0,0|3,0,0]=4 2649 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [0,1,0,0,0,0|2,0,0]=3 2650 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [0,1,0,0,0,0|2,0,0]=3 2651 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [0,1,0,0,0,0|2,0,0]=3 2652 B11R1.192 COCc1ccc(c(c1)I)F 34a_100000049585_200000210301 [0,1,0,0,0,0|3,0,0]=4 2653 B11R1.192 COCc1ccc(c(c1)I)F 34a_100138415774_100010188208 [0,1,0,0,0,0|3,0,0]=4 2654 B11R1.192 COCc1ccc(c(c1)I)F 7a_100000049585_200000210301 [0,1,0,0,0,0|3,0,0]=4 2655 B11R1.192 COCc1ccc(c(c1)N)Br 34a_100012347568_200000210301 [0,1,0,0,0,0|3,0,0]=4 2656 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [0,1,0,0,0,0|2,0,0]=3 2657 B11R1.192 COCc1ccc(c(c1)N)Cl 34a_106256033963_200000210301 [0,1,0,0,0,0|3,0,0]=4 2658 B11R1.192 COCc1ccc(c(c1)N)F 34a_102125399562_200000210301 [0,1,0,0,0,0|3,0,0]=4 2659 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [0,1,0,0,0,0|3,0,0]=4 2660 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [0,1,0,0,0,0|2,0,0]=3 2661 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [0,1,0,0,0,0|3,0,0]=4 2662 B11R1.192 COCc1cnc(c(c1)F)C 34a_100009839834_200000210301 [0,1,0,0,0,0|3,0,0]=4 2663 B11R1.192 COCc1cnc(c(c1)F)C 7a_100009839834_200000210301 [0,1,0,0,0,0|3,0,0]=4 2664 B11R1.192 CSCc1ccc(c(c1)Br)Br 62a_100012353900_200000210301 [0,1,0,0,0,0|3,0,0]=4 2665 B11R1.192 CSCc1ccc(c(c1)Br)Br 62a_200000210301_100012353900 [0,1,0,0,0,0|3,0,0]=4 2666 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_100012232412_200000210301 [0,1,0,0,0,0|2,0,0]=3 2667 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_200000210301_100012232412 [0,1,0,0,0,0|2,0,0]=3 2668 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_100012353894_200000210301 [0,1,0,0,0,0|3,0,0]=4 2669 B11R1.192 CSCc1ccc(c(c1)Br)Cl 62a_200000210301_100012353894 [0,1,0,0,0,0|3,0,0]=4 2670 B11R1.192 CSCc1ccc(c(c1)Br)F 62a_100011206884_200000210301 [0,1,0,0,0,0|3,0,0]=4 2671 B11R1.192 CSCc1ccc(c(c1)Br)F 62a_200000210301_100011206884 [0,1,0,0,0,0|3,0,0]=4 2672 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_100000727479_200000210301 [0,1,0,0,0,0|3,0,0]=4 2673 B11R1.192 CSCc1ccc(c(c1)C)Br 62a_200000210301_100000727479 [0,1,0,0,0,0|3,0,0]=4 2674 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [0,1,0,0,0,0|2,0,0]=3 2675 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [0,1,0,0,0,0|2,0,0]=3 2676 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_100012184735_200000210301 [0,1,0,0,0,0|3,0,0]=4 2677 B11R1.192 CSCc1ccc(c(c1)C)Cl 62a_200000210301_100012184735 [0,1,0,0,0,0|3,0,0]=4 2678 B11R1.192 CSCc1ccc(c(c1)C)F 62a_100011216667_200000210301 [0,1,0,0,0,0|3,0,0]=4 2679 B11R1.192 CSCc1ccc(c(c1)C)F 62a_200000210301_100011216667 [0,1,0,0,0,0|3,0,0]=4 2680 B11R1.192 CSCc1ccc(c(c1)Cl)Br 62a_100012353895_200000210301 [0,1,0,0,0,0|3,0,0]=4 2681 B11R1.192 CSCc1ccc(c(c1)Cl)Br 62a_200000210301_100012353895 [0,1,0,0,0,0|3,0,0]=4 2682 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_100011823929_200000210301 [0,1,0,0,0,0|2,0,0]=3 2683 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_200000210301_100011823929 [0,1,0,0,0,0|2,0,0]=3 2684 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_100000184707_200000210301 [0,1,0,0,0,0|3,0,0]=4 2685 B11R1.192 CSCc1ccc(c(c1)Cl)Cl 62a_200000210301_100000184707 [0,1,0,0,0,0|3,0,0]=4 2686 B11R1.192 CSCc1ccc(c(c1)Cl)F 62a_100000717365_200000210301 [0,1,0,0,0,0|3,0,0]=4 2687 B11R1.192 CSCc1ccc(c(c1)Cl)F 62a_200000210301_100011934319 [0,1,0,0,0,0|3,0,0]=4 2688 B11R1.192 CSCc1ccc(c(c1)Cl)I 62a_100012349665_200000210301 [0,1,0,0,0,0|3,0,0]=4 2689 B11R1.192 CSCc1ccc(c(c1)Cl)I 62a_200000210301_100012349665 [0,1,0,0,0,0|3,0,0]=4 2690 B11R1.192 CSCc1ccc(c(c1)F)Br 62a_100000767054_200000210301 [0,1,0,0,0,0|3,0,0]=4 2691 B11R1.192 CSCc1ccc(c(c1)F)Br 62a_200000210301_100000767054 [0,1,0,0,0,0|3,0,0]=4 2692 B11R1.192 CSCc1ccc(c(c1)F)C 62a_100011217369_200000210301 [0,1,0,0,0,0|2,0,0]=3 2693 B11R1.192 CSCc1ccc(c(c1)F)C 62a_200000210301_100011217369 [0,1,0,0,0,0|2,0,0]=3 2694 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_100000716492_200000210301 [0,1,0,0,0,0|3,0,0]=4 2695 B11R1.192 CSCc1ccc(c(c1)F)Cl 62a_200000210301_100000716492 [0,1,0,0,0,0|3,0,0]=4 2696 B11R1.192 CSCc1ccc(c(c1)F)F 62a_100000757363_200000210301 [0,1,0,0,0,0|3,0,0]=4 2697 B11R1.192 CSCc1ccc(c(c1)F)F 62a_200000210301_100000757363 [0,1,0,0,0,0|3,0,0]=4 2698 B11R1.192 CSCc1ccc(c(c1)F)I 62a_100010149604_200000210301 [0,1,0,0,0,0|3,0,0]=4 2699 B11R1.192 CSCc1ccc(c(c1)F)I 62a_200000210301_100010149604 [0,1,0,0,0,0|3,0,0]=4 2700 B11R1.192 CSCc1ccc(c(c1)I)Br 62a_100010146616_200000210301 [0,1,0,0,0,0|3,0,0]=4 2701 B11R1.192 CSCc1ccc(c(c1)I)Br 62a_200000210301_100010146616 [0,1,0,0,0,0|3,0,0]=4 2702 B11R1.192 CSCc1ccc(c(c1)I)C 62a_100010206137_200000210301 [0,1,0,0,0,0|2,0,0]=3 2703 B11R1.192 CSCc1ccc(c(c1)I)C 62a_200000210301_100010206137 [0,1,0,0,0,0|2,0,0]=3 2704 B11R1.192 CSCc1ccc(c(c1)I)F 62a_100010188208_200000210301 [0,1,0,0,0,0|3,0,0]=4 2705 B11R1.192 CSCc1ccc(c(c1)I)F 62a_200000210301_100010188208 [0,1,0,0,0,0|3,0,0]=4 2706 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 2230a_100015205234_200025704644 [0,1,0,0,0,0|3,0,0]=4 2707 B11R1.192 Cc1cc(ccc1Br)CN[13CH3] 34a_100015205234_200025704644 [0,1,0,0,0,0|3,0,0]=4 2708 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 34a_100000718852_200025704644 [0,1,0,0,0,0|3,0,0]=4 2709 B11R1.192 Cc1cc(ccc1Br)CO[13CH3] 7a_100000718852_200025704644 [0,1,0,0,0,0|3,0,0]=4 2710 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_100000727479_200025704644 [0,1,0,0,0,0|3,0,0]=4 2711 B11R1.192 Cc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100000727479 [0,1,0,0,0,0|3,0,0]=4 2712 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_100012184735_200025704644 [0,1,0,0,0,0|3,0,0]=4 2713 B11R1.192 Cc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_100012184735 [0,1,0,0,0,0|3,0,0]=4 2714 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 2230a_100000239911_200025704644 [0,1,0,0,0,0|3,0,0]=4 2715 B11R1.192 Cc1cc(ccc1F)CN[13CH3] 34a_100000239911_200025704644 [0,1,0,0,0,0|3,0,0]=4 2716 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 34a_100011219793_200025704644 [0,1,0,0,0,0|3,0,0]=4 2717 B11R1.192 Cc1cc(ccc1F)CO[13CH3] 7a_100011219793_200025704644 [0,1,0,0,0,0|3,0,0]=4 2718 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_100011216667_200025704644 [0,1,0,0,0,0|3,0,0]=4 2719 B11R1.192 Cc1cc(ccc1F)CS[13CH3] 62a_200025704644_100011216667 [0,1,0,0,0,0|3,0,0]=4 2720 B11R1.192 Cc1cc(ccc1N)CO[13CH3] 34a_200011997030_200025704644 [0,1,0,0,0,0|3,0,0]=4 2721 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [0,1,0,0,0,0|2,0,1]=4 2722 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [0,1,0,0,0,0|2,0,0]=3 2723 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [0,1,0,0,0,0|2,0,0]=3 2724 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_100012232412_200025704644 [0,1,0,0,0,0|2,0,0]=3 2725 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_200025704644_100012232412 [0,1,0,0,0,0|2,0,0]=3 2726 B11R1.192 Cc1ccc(cc1Br)NCF 34a_100000736455_100015361967 [0,1,0,0,0,0|2,0,1]=4 2727 B11R1.192 Cc1ccc(cc1Br)NCF 7a_100000736455_100015361967 [0,1,0,0,0,0|2,0,1]=4 2728 B11R1.192 Cc1ccc(cc1Br)OCF 34a_100011380479_100015361967 [0,1,0,0,0,0|2,0,1]=4 2729 B11R1.192 Cc1ccc(cc1Br)OCF 7a_100011380479_100015361967 [0,1,0,0,0,0|2,0,1]=4 2730 B11R1.192 Cc1ccc(cc1Br)SCF 62a_100011847877_100015361967 [0,1,0,0,0,0|2,0,1]=4 2731 B11R1.192 Cc1ccc(cc1Br)SCF 62a_100015361967_100011847877 [0,1,0,0,0,0|2,0,1]=4 2732 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [0,1,0,0,0,0|2,0,0]=3 2733 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [0,1,0,0,0,0|2,0,0]=3 2734 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [0,1,0,0,0,0|2,0,0]=3 2735 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [0,1,0,0,0,0|2,0,0]=3 2736 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [0,1,0,0,0,0|2,0,0]=3 2737 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [0,1,0,0,0,0|2,0,0]=3 2738 B11R1.192 Cc1ccc(cc1C)NCF 34a_100000724040_100015361967 [0,1,0,0,0,0|2,0,1]=4 2739 B11R1.192 Cc1ccc(cc1C)NCF 7a_100000724040_100015361967 [0,1,0,0,0,0|2,0,1]=4 2740 B11R1.192 Cc1ccc(cc1C)OCF 34a_100000210932_100015361967 [0,1,0,0,0,0|2,0,1]=4 2741 B11R1.192 Cc1ccc(cc1C)OCF 7a_100000210932_100015361967 [0,1,0,0,0,0|2,0,1]=4 2742 B11R1.192 Cc1ccc(cc1C)SCF 62a_100011215607_100015361967 [0,1,0,0,0,0|2,0,1]=4 2743 B11R1.192 Cc1ccc(cc1C)SCF 62a_100015361967_100011215607 [0,1,0,0,0,0|2,0,1]=4 2744 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 2230a_102495364989_200025704644 [0,1,0,0,0,0|2,0,0]=3 2745 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 34a_102495364989_200025704644 [0,1,0,0,0,0|2,0,0]=3 2746 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [0,1,0,0,0,0|2,0,0]=3 2747 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [0,1,0,0,0,0|2,0,0]=3 2748 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_100011823929_200025704644 [0,1,0,0,0,0|2,0,0]=3 2749 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100011823929 [0,1,0,0,0,0|2,0,0]=3 2750 B11R1.192 Cc1ccc(cc1Cl)NCF 34a_100000188892_100015361967 [0,1,0,0,0,0|2,0,1]=4 2751 B11R1.192 Cc1ccc(cc1Cl)NCF 7a_100000188892_100015361967 [0,1,0,0,0,0|2,0,1]=4 2752 B11R1.192 Cc1ccc(cc1Cl)OCF 34a_100011265682_100015361967 [0,1,0,0,0,0|2,0,1]=4 2753 B11R1.192 Cc1ccc(cc1Cl)OCF 7a_100011265682_100015361967 [0,1,0,0,0,0|2,0,1]=4 2754 B11R1.192 Cc1ccc(cc1Cl)SCF 62a_100011216363_100015361967 [0,1,0,0,0,0|2,0,1]=4 2755 B11R1.192 Cc1ccc(cc1Cl)SCF 62a_100015361967_100011216363 [0,1,0,0,0,0|2,0,1]=4 2756 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 2230a_100102708794_200025704644 [0,1,0,0,0,0|2,0,0]=3 2757 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 34a_100102708794_200025704644 [0,1,0,0,0,0|2,0,0]=3 2758 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [0,1,0,0,0,0|2,0,0]=3 2759 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [0,1,0,0,0,0|2,0,0]=3 2760 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_100011217369_200025704644 [0,1,0,0,0,0|2,0,0]=3 2761 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_200025704644_100011217369 [0,1,0,0,0,0|2,0,0]=3 2762 B11R1.192 Cc1ccc(cc1F)NCF 34a_100000210958_100015361967 [0,1,0,0,0,0|2,0,1]=4 2763 B11R1.192 Cc1ccc(cc1F)NCF 7a_100000210958_100015361967 [0,1,0,0,0,0|2,0,1]=4 2764 B11R1.192 Cc1ccc(cc1F)OCF 34a_100000722560_100015361967 [0,1,0,0,0,0|2,0,1]=4 2765 B11R1.192 Cc1ccc(cc1F)OCF 7a_100000722560_100015361967 [0,1,0,0,0,0|2,0,1]=4 2766 B11R1.192 Cc1ccc(cc1F)SCF 62a_100000720648_100015361967 [0,1,0,0,0,0|2,0,1]=4 2767 B11R1.192 Cc1ccc(cc1F)SCF 62a_100015361967_100000720648 [0,1,0,0,0,0|2,0,1]=4 2768 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [0,1,0,0,0,0|2,0,0]=3 2769 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [0,1,0,0,0,0|2,0,0]=3 2770 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_100010206137_200025704644 [0,1,0,0,0,0|2,0,0]=3 2771 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_200025704644_100010206137 [0,1,0,0,0,0|2,0,0]=3 2772 B11R1.192 Cc1ccc(cc1I)NCF 34a_100000184131_100015361967 [0,1,0,0,0,0|2,0,1]=4 2773 B11R1.192 Cc1ccc(cc1I)NCF 7a_100000184131_100015361967 [0,1,0,0,0,0|2,0,1]=4 2774 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [0,1,0,0,0,0|2,0,0]=3 2775 B11R1.192 Cc1ccc(cc1N)OCF 34a_100011216113_100015361967 [0,1,0,0,0,0|2,0,1]=4 2776 B11R1.192 Cc1ccc(cc1N)OCF 7a_100011216113_100015361967 [0,1,0,0,0,0|2,0,1]=4 2777 B11R1.192 Cc1ccc(cc1N)SCF 62a_100000761890_100015361967 [0,1,0,0,0,0|2,0,1]=4 2778 B11R1.192 Cc1ccc(cc1N)SCF 62a_100015361967_100000761890 [0,1,0,0,0,0|2,0,1]=4 2779 B11R1.192 Cc1ccc(cc1O)NCF 34a_100000759471_100015361967 [0,1,0,0,0,0|2,0,1]=4 2780 B11R1.192 Cc1ccc(cc1O)NCF 7a_100000759471_100015361967 [0,1,0,0,0,0|2,0,1]=4 2781 B11R1.192 Cc1ccc(cc1O)SCF 62a_100000685420_100015361967 [0,1,0,0,0,0|2,0,1]=4 2782 B11R1.192 Cc1ccc(cc1O)SCF 62a_100015361967_100000685420 [0,1,0,0,0,0|2,0,1]=4 2783 B11R1.192 Cc1ccc(nc1C)CN[13CH3] 2230a_202515432893_200025704644 [0,1,0,0,0,0|3,0,0]=4 2784 B11R1.192 Cc1ccc(nc1C)CN[13CH3] 34a_202515432893_200025704644 [0,1,0,0,0,0|3,0,0]=4 2785 B11R1.192 Cc1cnc(cc1Br)CO[13CH3] 34a_100010113723_200025704644 [0,1,0,0,0,0|3,0,0]=4 2786 B11R1.192 Cc1cnc(cc1Br)CO[13CH3] 7a_100010113723_200025704644 [0,1,0,0,0,0|3,0,0]=4 2787 B11R1.192 Cc1cnc(cc1Cl)CO[13CH3] 34a_200000144627_200025704644 [0,1,0,0,0,0|3,0,0]=4 2788 B11R1.192 Cc1cnc(cc1Cl)CO[13CH3] 7a_200000144627_200025704644 [0,1,0,0,0,0|3,0,0]=4 2789 B11R1.192 Cc1ncc(cc1F)CO[13CH3] 34a_100009839834_200025704644 [0,1,0,0,0,0|3,0,0]=4 2790 B11R1.192 Cc1ncc(cc1F)CO[13CH3] 7a_100009839834_200025704644 [0,1,0,0,0,0|3,0,0]=4 2791 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [0,1,0,0,0,0|2,0,1]=4 2792 B11R1.192 N#CCc1ccc(c(c1)O)F 271570a_203496583355_100000742998 [0,1,0,0,0,0|2,0,1]=4 2793 B11R1.192 N#CCc1ccc(c(c1)O)N 271570a_203496583355_100010188563 [0,1,0,0,0,0|2,0,1]=4 2794 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [0,1,0,0,0,0|1,0,2]=4 2795 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 2230a_100012351559_200025704644 [0,1,0,0,0,0|3,0,0]=4 2796 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Br 34a_100012351559_200025704644 [0,1,0,0,0,0|3,0,0]=4 2797 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 2230a_100012349490_200025704644 [0,1,0,0,0,0|3,0,0]=4 2798 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)Cl 34a_100012349490_200025704644 [0,1,0,0,0,0|3,0,0]=4 2799 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 2230a_100015193890_200025704644 [0,1,0,0,0,0|3,0,0]=4 2800 B11R1.192 [13CH3]NCc1ccc(c(c1)Br)F 34a_100015193890_200025704644 [0,1,0,0,0,0|3,0,0]=4 2801 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 2230a_100012362553_200025704644 [0,1,0,0,0,0|3,0,0]=4 2802 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Br 34a_100012362553_200025704644 [0,1,0,0,0,0|3,0,0]=4 2803 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 2230a_100000174881_200025704644 [0,1,0,0,0,0|3,0,0]=4 2804 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)Cl 34a_100000174881_200025704644 [0,1,0,0,0,0|3,0,0]=4 2805 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 2230a_100000749334_200025704644 [0,1,0,0,0,0|3,0,0]=4 2806 B11R1.192 [13CH3]NCc1ccc(c(c1)Cl)F 34a_100000749334_200025704644 [0,1,0,0,0,0|3,0,0]=4 2807 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 2230a_100000755036_200025704644 [0,1,0,0,0,0|3,0,0]=4 2808 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Br 34a_100000755036_200025704644 [0,1,0,0,0,0|3,0,0]=4 2809 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 2230a_100011219866_200025704644 [0,1,0,0,0,0|3,0,0]=4 2810 B11R1.192 [13CH3]NCc1ccc(c(c1)F)Cl 34a_100011219866_200025704644 [0,1,0,0,0,0|3,0,0]=4 2811 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 2230a_100000737897_200025704644 [0,1,0,0,0,0|3,0,0]=4 2812 B11R1.192 [13CH3]NCc1ccc(c(c1)F)F 34a_100000737897_200025704644 [0,1,0,0,0,0|3,0,0]=4 2813 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [0,1,0,0,0,0|3,0,0]=4 2814 B11R1.192 [13CH3]NCc1ccc(c(c1)O)Cl 34a_100020636435_200025704644 [0,1,0,0,0,0|3,0,0]=4 2815 B11R1.192 [13CH3]NCc1ccc(c(c1)O)F 34a_100160469508_200025704644 [0,1,0,0,0,0|3,0,0]=4 2816 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [0,1,0,0,0,0|3,0,0]=4 2817 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 34a_100012353893_200025704644 [0,1,0,0,0,0|3,0,0]=4 2818 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)Cl 7a_100012353893_200025704644 [0,1,0,0,0,0|3,0,0]=4 2819 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 34a_100000246287_200025704644 [0,1,0,0,0,0|3,0,0]=4 2820 B11R1.192 [13CH3]OCc1ccc(c(c1)Br)F 7a_100000246287_200025704644 [0,1,0,0,0,0|3,0,0]=4 2821 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 34a_100000709168_200025704644 [0,1,0,0,0,0|3,0,0]=4 2822 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Br 7a_100000709168_200025704644 [0,1,0,0,0,0|3,0,0]=4 2823 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 34a_100000211588_200025704644 [0,1,0,0,0,0|3,0,0]=4 2824 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)Cl 7a_100000211588_200025704644 [0,1,0,0,0,0|3,0,0]=4 2825 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 34a_100011217911_200025704644 [0,1,0,0,0,0|3,0,0]=4 2826 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)F 7a_100011217911_200025704644 [0,1,0,0,0,0|3,0,0]=4 2827 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 34a_100000718186_200025704644 [0,1,0,0,0,0|3,0,0]=4 2828 B11R1.192 [13CH3]OCc1ccc(c(c1)Cl)I 7a_100000718186_200025704644 [0,1,0,0,0,0|3,0,0]=4 2829 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 34a_100011533735_200025704644 [0,1,0,0,0,0|3,0,0]=4 2830 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Br 7a_100011533735_200025704644 [0,1,0,0,0,0|3,0,0]=4 2831 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 34a_100011218299_200025704644 [0,1,0,0,0,0|3,0,0]=4 2832 B11R1.192 [13CH3]OCc1ccc(c(c1)F)Cl 7a_100011218299_200025704644 [0,1,0,0,0,0|3,0,0]=4 2833 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 34a_100011215442_200025704644 [0,1,0,0,0,0|3,0,0]=4 2834 B11R1.192 [13CH3]OCc1ccc(c(c1)F)F 7a_100011215442_200025704644 [0,1,0,0,0,0|3,0,0]=4 2835 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 34a_100010149597_200025704644 [0,1,0,0,0,0|3,0,0]=4 2836 B11R1.192 [13CH3]OCc1ccc(c(c1)F)I 7a_100010149597_200025704644 [0,1,0,0,0,0|3,0,0]=4 2837 B11R1.192 [13CH3]OCc1ccc(c(c1)F)N 34a_100011217239_200025704644 [0,1,0,0,0,0|3,0,0]=4 2838 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 34a_100000049585_200025704644 [0,1,0,0,0,0|3,0,0]=4 2839 B11R1.192 [13CH3]OCc1ccc(c(c1)I)F 7a_100000049585_200025704644 [0,1,0,0,0,0|3,0,0]=4 2840 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Br 34a_100012347568_200025704644 [0,1,0,0,0,0|3,0,0]=4 2841 B11R1.192 [13CH3]OCc1ccc(c(c1)N)Cl 34a_106256033963_200025704644 [0,1,0,0,0,0|3,0,0]=4 2842 B11R1.192 [13CH3]OCc1ccc(c(c1)N)F 34a_102125399562_200025704644 [0,1,0,0,0,0|3,0,0]=4 2843 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Br 62a_100012353900_200025704644 [0,1,0,0,0,0|3,0,0]=4 2844 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Br 62a_200025704644_100012353900 [0,1,0,0,0,0|3,0,0]=4 2845 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_100012353894_200025704644 [0,1,0,0,0,0|3,0,0]=4 2846 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)Cl 62a_200025704644_100012353894 [0,1,0,0,0,0|3,0,0]=4 2847 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)F 62a_100011206884_200025704644 [0,1,0,0,0,0|3,0,0]=4 2848 B11R1.192 [13CH3]SCc1ccc(c(c1)Br)F 62a_200025704644_100011206884 [0,1,0,0,0,0|3,0,0]=4 2849 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Br 62a_100012353895_200025704644 [0,1,0,0,0,0|3,0,0]=4 2850 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Br 62a_200025704644_100012353895 [0,1,0,0,0,0|3,0,0]=4 2851 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_100000184707_200025704644 [0,1,0,0,0,0|3,0,0]=4 2852 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)Cl 62a_200025704644_100000184707 [0,1,0,0,0,0|3,0,0]=4 2853 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)F 62a_100000717365_200025704644 [0,1,0,0,0,0|3,0,0]=4 2854 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)F 62a_200025704644_100011934319 [0,1,0,0,0,0|3,0,0]=4 2855 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)I 62a_100012349665_200025704644 [0,1,0,0,0,0|3,0,0]=4 2856 B11R1.192 [13CH3]SCc1ccc(c(c1)Cl)I 62a_200025704644_100012349665 [0,1,0,0,0,0|3,0,0]=4 2857 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Br 62a_100000767054_200025704644 [0,1,0,0,0,0|3,0,0]=4 2858 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Br 62a_200025704644_100000767054 [0,1,0,0,0,0|3,0,0]=4 2859 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_100000716492_200025704644 [0,1,0,0,0,0|3,0,0]=4 2860 B11R1.192 [13CH3]SCc1ccc(c(c1)F)Cl 62a_200025704644_100000716492 [0,1,0,0,0,0|3,0,0]=4 2861 B11R1.192 [13CH3]SCc1ccc(c(c1)F)F 62a_100000757363_200025704644 [0,1,0,0,0,0|3,0,0]=4 2862 B11R1.192 [13CH3]SCc1ccc(c(c1)F)F 62a_200025704644_100000757363 [0,1,0,0,0,0|3,0,0]=4 2863 B11R1.192 [13CH3]SCc1ccc(c(c1)F)I 62a_100010149604_200025704644 [0,1,0,0,0,0|3,0,0]=4 2864 B11R1.192 [13CH3]SCc1ccc(c(c1)F)I 62a_200025704644_100010149604 [0,1,0,0,0,0|3,0,0]=4 2865 B11R1.192 [13CH3]SCc1ccc(c(c1)I)Br 62a_100010146616_200025704644 [0,1,0,0,0,0|3,0,0]=4 2866 B11R1.192 [13CH3]SCc1ccc(c(c1)I)Br 62a_200025704644_100010146616 [0,1,0,0,0,0|3,0,0]=4 2867 B11R1.192 [13CH3]SCc1ccc(c(c1)I)F 62a_100010188208_200025704644 [0,1,0,0,0,0|3,0,0]=4 2868 B11R1.192 [13CH3]SCc1ccc(c(c1)I)F 62a_200025704644_100010188208 [0,1,0,0,0,0|3,0,0]=4 2869 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [0,0,0,1,0,0|2,0,1]=4 2870 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [0,0,0,1,0,0|1,0,1]=3 2871 B11R2.34 Cc1ccc(cn1)C2CC2 271570a_100011220607_100000751577 [0,0,0,1,0,0|2,0,1]=4 2872 B11R2.34 Cc1ccc(nc1)C2CC2 271570a_100011220607_100000754016 [0,0,0,1,0,0|2,0,1]=4 2873 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [0,0,0,1,0,0|2,0,1]=4 2874 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [0,0,0,1,0,0|2,0,1]=4 2875 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [0,0,0,1,0,0|2,0,1]=4 2876 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [0,0,0,1,0,0|2,0,1]=4 2877 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [0,0,0,1,0,0|2,0,1]=4 2878 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [0,0,0,1,0,0|3,0,0]=4 2879 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [0,0,0,1,0,0|3,0,0]=4 2880 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [0,0,0,1,0,0|2,0,0]=3 2881 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [0,0,0,1,0,0|2,0,1]=4 2882 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [0,0,0,1,0,0|2,0,1]=4 2883 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [0,0,0,1,0,0|3,0,0]=4 2884 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [0,0,0,1,0,0|3,0,0]=4 2885 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [0,0,0,1,0,0|2,0,1]=4 2886 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [0,0,0,1,0,0|1,0,2]=4 2887 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [0,0,0,1,0,0|2,0,1]=4 2888 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [0,0,0,1,0,0|1,0,2]=4 2889 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [0,0,0,1,0,0|1,1,1]=4 2890 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [0,0,0,1,0,0|2,0,1]=4 2891 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [0,0,0,1,0,0|2,1,0]=4 2892 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [0,0,0,1,0,0|3,0,0]=4 2893 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [0,0,0,1,0,0|3,0,0]=4 2894 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [0,0,0,1,0,0|3,0,0]=4 2895 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [0,0,0,1,0,0|3,0,0]=4 2896 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,0,0,0,1,0|2,0,1]=4 2897 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,0,0,0,1,0|2,0,1]=4 2898 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [0,0,0,0,1,0|2,0,1]=4 2899 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,0,0,0,1,0|3,0,0]=4 2900 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,0,0,0,1,0|3,0,0]=4 2901 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,0,0,0,1,0|3,0,0]=4 2902 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,0,0,0,1,0|3,0,0]=4 2903 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,0,0,0,1,0|3,0,0]=4 2904 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,0,0,0,1,0|3,0,0]=4 2905 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,0,0,0,1,0|3,0,0]=4 2906 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,0,0,0,1,0|3,0,0]=4 2907 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,0,0,0,1,0|3,0,0]=4 2908 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,0,0,0,1,0|3,0,0]=4 2909 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [0,0,0,0,1,0|3,0,0]=4 2910 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [0,0,0,0,1,0|3,0,0]=4 2911 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,0,0,0,1,0|3,0,0]=4 2912 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,0,0,0,1,0|3,0,0]=4 2913 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,0,0,0,1,0|3,0,0]=4 2914 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,0,0,0,1,0|3,0,0]=4 2915 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,0,0,0,1,0|3,0,0]=4 2916 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,0,0,0,1,0|3,0,0]=4 2917 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,0,0,0,1,0|3,0,0]=4 2918 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,0,0,0,1,0|3,0,0]=4 2919 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,0,0,0,1,0|3,0,0]=4 2920 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,0,0,0,1,0|3,0,0]=4 2921 B9R1.7 Cc1cn(nn1)CC=O 274090a_200015260668_200000242740 [0,0,0,0,1,0|3,0,0]=4 2922 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,0,0,0,1,0|3,0,0]=4 2923 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,0,0,0,1,0|3,0,0]=4 2924 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,0,0,0,1,0|3,0,0]=4 2925 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,0,0,0,1,0|3,0,0]=4 2926 B8R0.1 C=CC=CC(=O)CC=C 1458a_100016291481_100000210623 [1,0,1,0,0,0|2,0,0]=4 2927 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,1]=3 2928 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 2929 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 2930 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [2,0,0,0,0,0|1,0,1]=4 2931 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,1]=4 2932 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 2933 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,1]=4 2934 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,1]=4 2935 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,1]=4 2936 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,1]=4 2937 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 2938 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,1]=4 2939 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,1]=4 2940 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,1]=4 2941 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [2,0,0,0,0,0|0,0,1]=3 2942 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [2,0,0,0,0,0|1,0,1]=4 2943 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [2,0,0,0,0,0|1,0,1]=4 2944 B8R1.3 Nc1ccc(cc1)O 271570a_203496583355_100000185761 [2,0,0,0,0,0|1,0,1]=4 2945 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|2,0,0]=4 2946 B8R1.3 Oc1ccc(cc1)Br 271570a_203496583355_100000752885 [2,0,0,0,0,0|1,0,1]=4 2947 B8R1.3 Oc1ccc(cc1)Cl 271570a_203496583355_100000755918 [2,0,0,0,0,0|1,0,1]=4 2948 B8R1.3 Oc1ccc(cc1)F 271570a_203496583355_100000211213 [2,0,0,0,0,0|1,0,1]=4 2949 B8R1.3 Oc1ccc(cc1)O 271570a_203496583355_100000185759 [2,0,0,0,0,0|1,0,1]=4 2950 B10R0.108 C=CCC(=O)C=CC(=CC)C 1458a_100000692105_100000210623 [0,1,1,0,0,0|1,0,1]=4 2951 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,1,0,0,0,0|0,0,2]=4 2952 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,1,0,0,0,0|0,0,2]=4 2953 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,1,0,0,0,0|0,0,2]=4 2954 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,1,0,0,0,0|0,0,1]=3 2955 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,1,0,0,0,0|0,0,1]=3 2956 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,1,0,0,0,0|0,0,1]=3 2957 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,1,0,0,0,0|0,0,1]=3 2958 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,1,0,0,0,0|0,0,1]=3 2959 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,1,0,0,0,0|0,0,1]=3 2960 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,1,0,0,0,0|0,0,1]=3 2961 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,1,0,0,0,0|1,0,1]=4 2962 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,1,0,0,0,0|0,0,1]=3 2963 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,1,0,0,0,0|0,0,1]=3 2964 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,1,0,0,0,0|0,0,1]=3 2965 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,1,0,0,0,0|0,0,1]=3 2966 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,1,0,0,0,0|0,0,1]=3 2967 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,1,0,0,0,0|0,0,1]=3 2968 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,1,0,0,0,0|0,0,1]=3 2969 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,1,0,0,0,0|0,0,1]=3 2970 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,1,0,0,0,0|0,0,1]=3 2971 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,1,0,0,0,0|0,0,1]=3 2972 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,1,0,0,0,0|0,0,1]=3 2973 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,1,0,0,0,0|1,0,1]=4 2974 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,1,0,0,0,0|1,0,1]=4 2975 B10R1.3 C=Cc1ccc(cn1)CN 271570a_100011290941_100009817727 [1,1,0,0,0,0|1,0,1]=4 2976 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,1,0,0,0,0|1,0,1]=4 2977 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [1,1,0,0,0,0|1,0,1]=4 2978 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,1,0,0,0,0|1,0,1]=4 2979 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [1,1,0,0,0,0|1,0,1]=4 2980 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,1,0,0,0,0|1,0,1]=4 2981 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,1,0,0,0,0|1,0,1]=4 2982 B10R1.3 C=Cc1ccc(nc1)CN 271570a_100011290941_100015188789 [1,1,0,0,0,0|1,0,1]=4 2983 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,1,0,0,0,0|1,0,1]=4 2984 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [1,1,0,0,0,0|1,0,1]=4 2985 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,1,0,0,0,0|1,0,1]=4 2986 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [1,1,0,0,0,0|1,0,1]=4 2987 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [1,1,0,0,0,0|1,0,1]=4 2988 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [1,1,0,0,0,0|1,0,1]=4 2989 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [1,1,0,0,0,0|1,0,1]=4 2990 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [1,1,0,0,0,0|1,0,1]=4 2991 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,1,0,0,0,0|0,0,1]=3 2992 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,1,0,0,0,0|0,0,1]=3 2993 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,1,0,0,0,0|0,0,1]=3 2994 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,1,0,0,0,0|0,0,1]=3 2995 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2996 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2997 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2998 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2999 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,1,0,0,0,0|0,0,1]=3 3000 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,1,0,0,0,0|0,0,1]=3 3001 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,1,0,0,0,0|0,0,1]=3 3002 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,1,0,0,0,0|0,0,1]=3 3003 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [1,1,0,0,0,0|1,0,1]=4 3004 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [1,1,0,0,0,0|1,0,1]=4 3005 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [1,1,0,0,0,0|1,0,1]=4 3006 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [1,1,0,0,0,0|1,0,1]=4 3007 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [1,1,0,0,0,0|1,0,1]=4 3008 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [1,1,0,0,0,0|1,0,1]=4 3009 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [1,1,0,0,0,0|1,0,1]=4 3010 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [1,1,0,0,0,0|1,0,1]=4 3011 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,1,0,0,0,0|1,0,1]=4 3012 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,1,0,0,0,0|0,0,1]=3 3013 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,1,0,0,0,0|0,0,1]=3 3014 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,1,0,0,0,0|1,0,1]=4 3015 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,1,0,0,0,0|1,0,1]=4 3016 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,1,0,0,0,0|1,0,1]=4 3017 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,1,0,0,0,0|1,0,1]=4 3018 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,1,0,0,0,0|1,0,1]=4 3019 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,1,0,0,0,0|1,0,1]=4 3020 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,1,0,0,0,0|1,0,1]=4 3021 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,1,0,0,0,0|1,0,1]=4 3022 B10R1.3 CNc1cnc(cn1)C=O 27a_100102657272_100012001714 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.3 CNc1ncc(cn1)C=O 27a_100102657272_100000070856 [1,1,0,0,0,0|2,0,0]=4 3024 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3025 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,1,0,0,0,0|1,0,1]=4 3026 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,0]=3 3027 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,1,0,0,0,0|0,0,1]=3 3028 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,1,0,0,0,0|1,0,1]=4 3029 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,1,0,0,0,0|1,0,1]=4 3030 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,1,0,0,0,0|1,0,1]=4 3031 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,1,0,0,0,0|1,0,1]=4 3032 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,1,0,0,0,0|1,0,1]=4 3033 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,1,0,0,0,0|1,0,1]=4 3034 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,1,0,0,0,0|1,0,1]=4 3037 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,1,0,0,0,0|1,0,1]=4 3038 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,1,0,0,0,0|0,0,0]=2 3039 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,1,0,0,0,0|0,0,0]=2 3040 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,1,0,0,0,0|1,0,0]=3 3041 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,1,0,0,0,0|1,0,0]=3 3042 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 3043 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,1,0,0,0,0|1,0,0]=3 3044 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,1,0,0,0,0|0,0,1]=3 3045 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,1,0,0,0,0|0,0,1]=3 3046 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3047 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,1,0,0,0,0|2,0,0]=4 3048 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,1,0,0,0,0|1,0,1]=4 3049 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,1,0,0,0,0|1,0,1]=4 3050 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,1,0,0,0,0|1,0,1]=4 3051 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,1,0,0,0,0|1,0,1]=4 3052 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,1,0,0,0,0|1,0,1]=4 3053 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,1,0,0,0,0|1,0,1]=4 3054 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,1,0,0,0,0|1,0,0]=3 3055 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,1,0,0,0,0|1,0,0]=3 3056 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 3057 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [1,1,0,0,0,0|2,0,0]=4 3058 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [1,1,0,0,0,0|1,0,1]=4 3059 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [1,1,0,0,0,0|1,0,1]=4 3060 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3061 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,1,0,0,0,0|1,0,0]=3 3062 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [1,1,0,0,0,0|2,0,0]=4 3064 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [1,1,0,0,0,0|1,0,1]=4 3065 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [1,1,0,0,0,0|1,0,1]=4 3066 B10R1.3 CSc1ccc(nn1)C=O 62a_100000044651_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B10R1.3 CSc1ccc(nn1)C=O 62a_200000210301_100000044651 [1,1,0,0,0,0|2,0,0]=4 3068 B10R1.3 CSc1cnc(cn1)C=O 62a_100012001714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3069 B10R1.3 CSc1cnc(cn1)C=O 62a_200000210301_100012001714 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.3 CSc1ncc(cn1)C=O 62a_100000070856_200000210301 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.3 CSc1ncc(cn1)C=O 62a_200000210301_100000070856 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,1,0,0,0,0|1,0,1]=4 3073 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,1,0,0,0,0|0,0,1]=3 3074 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,1,0,0,0,0|0,0,1]=3 3075 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3076 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,1,0,0,0,0|1,0,1]=4 3077 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,0]=3 3078 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,1,0,0,0,0|0,0,1]=3 3079 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,1,0,0,0,0|2,0,0]=4 3080 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,1,0,0,0,0|2,0,0]=4 3081 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,1,0,0,0,0|1,0,1]=4 3082 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,1,0,0,0,0|1,0,1]=4 3083 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,1,0,0,0,0|0,0,0]=2 3084 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,1,0,0,0,0|0,0,0]=2 3085 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,1,0,0,0,0|1,0,0]=3 3086 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,1,0,0,0,0|1,0,0]=3 3087 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 3088 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,1,0,0,0,0|1,0,0]=3 3089 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,1,0,0,0,0|0,0,1]=3 3090 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,1,0,0,0,0|0,0,1]=3 3091 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,1,0,0,0,0|1,0,0]=3 3094 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,1,0,0,0,0|1,0,0]=3 3095 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [1,1,0,0,0,0|2,0,0]=4 3097 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [1,1,0,0,0,0|1,0,1]=4 3098 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [1,1,0,0,0,0|1,0,1]=4 3099 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3100 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,1,0,0,0,0|1,0,0]=3 3101 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [1,1,0,0,0,0|2,0,0]=4 3102 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [1,1,0,0,0,0|2,0,0]=4 3103 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [1,1,0,0,0,0|1,0,1]=4 3104 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [1,1,0,0,0,0|1,0,1]=4 3105 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_100000044651_200025704644 [1,1,0,0,0,0|2,0,0]=4 3106 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_200025704644_100000044651 [1,1,0,0,0,0|2,0,0]=4 3107 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_100012001714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3108 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_200025704644_100012001714 [1,1,0,0,0,0|2,0,0]=4 3109 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_100000070856_200025704644 [1,1,0,0,0,0|2,0,0]=4 3110 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_200025704644_100000070856 [1,1,0,0,0,0|2,0,0]=4 3111 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,1,0,0,0,0|1,0,1]=4 3112 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,1,0,0,0,0|0,0,1]=3 3113 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,1,0,0,0,0|1,0,1]=4 3114 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,1,0,0,0,0|1,0,1]=4 3115 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,1,0,0,0,0|1,0,1]=4 3116 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,1,0,0,0,0|1,0,1]=4 3117 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,1,0,0,0,0|1,0,1]=4 3118 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,1,0,0,0,0|1,0,1]=4 3119 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,1,0,0,0,0|1,0,1]=4 3120 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|1,0,0]=3 3121 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|0,0,0]=2 3122 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3123 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|1,0,0]=3 3124 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3125 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|1,0,0]=3 3126 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|1,0,0]=3 3127 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|2,0,0]=4 3129 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,1,0,0,0,0|1,0,1]=4 3130 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,1,0,0,0,0|1,0,1]=4 3131 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,1,0,0,0,0|2,0,0]=4 3132 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,1,0,0,0,0|1,0,1]=4 3133 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,1,0,0,0,0|1,0,1]=4 3134 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|0,0,0]=2 3135 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3136 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3137 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,1,0,0,0,0|1,0,1]=4 3138 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3139 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3140 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,1,0,0,0,0|1,0,1]=4 3141 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|1,0,0]=3 3142 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|2,0,0]=4 3144 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|1,0,0]=3 3146 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|1,0,0]=3 3147 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|1,0,0]=3 3148 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|1,0,0]=3 3149 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|1,0,0]=3 3150 B10R1.25 C=Cc1ccc(c[n+]1[O-])C 271570a_100011290941_100009819918 [1,1,0,0,0,0|1,0,1]=4 3151 B10R1.25 C=Cc1ccc(cc1Br)Br 271570a_100011290941_100011484698 [1,1,0,0,0,0|1,0,1]=4 3152 B10R1.25 C=Cc1ccc(cc1Br)C 271570a_100011290941_100009813563 [1,1,0,0,0,0|0,0,1]=3 3153 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,1,0,0,0,0|1,0,1]=4 3154 B10R1.25 C=Cc1ccc(cc1Br)F 271570a_100011290941_100011217111 [1,1,0,0,0,0|1,0,1]=4 3155 B10R1.25 C=Cc1ccc(cc1Br)N 271570a_100011290941_100000750458 [1,1,0,0,0,0|1,0,1]=4 3156 B10R1.25 C=Cc1ccc(cc1Br)O 271570a_100011290941_100000701344 [1,1,0,0,0,0|1,0,1]=4 3157 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|1,0,1]=4 3158 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|0,0,1]=3 3159 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|1,0,1]=4 3160 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|1,0,1]=4 3161 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|1,0,1]=4 3162 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|1,0,1]=4 3163 B10R1.25 C=Cc1ccc(cc1Cl)Br 271570a_100011290941_100011216062 [1,1,0,0,0,0|1,0,1]=4 3164 B10R1.25 C=Cc1ccc(cc1Cl)C 271570a_100011290941_100011263221 [1,1,0,0,0,0|0,0,1]=3 3165 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,1,0,0,0,0|1,0,1]=4 3166 B10R1.25 C=Cc1ccc(cc1Cl)F 271570a_100011290941_100000733362 [1,1,0,0,0,0|1,0,1]=4 3167 B10R1.25 C=Cc1ccc(cc1Cl)N 271570a_100011290941_100000761885 [1,1,0,0,0,0|1,0,1]=4 3168 B10R1.25 C=Cc1ccc(cc1Cl)O 271570a_100011290941_100000047559 [1,1,0,0,0,0|1,0,1]=4 3169 B10R1.25 C=Cc1ccc(cc1F)Br 271570a_100011290941_100009814013 [1,1,0,0,0,0|1,0,1]=4 3170 B10R1.25 C=Cc1ccc(cc1F)C 271570a_100011290941_100011216119 [1,1,0,0,0,0|0,0,1]=3 3171 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,1,0,0,0,0|1,0,1]=4 3172 B10R1.25 C=Cc1ccc(cc1F)F 271570a_100011290941_100000750030 [1,1,0,0,0,0|1,0,1]=4 3173 B10R1.25 C=Cc1ccc(cc1F)N 271570a_100011290941_100011356925 [1,1,0,0,0,0|1,0,1]=4 3174 B10R1.25 C=Cc1ccc(cc1F)O 271570a_100011290941_100000755031 [1,1,0,0,0,0|1,0,1]=4 3175 B10R1.25 C=Cc1ccc(cc1N)Br 271570a_100011290941_100000743836 [1,1,0,0,0,0|1,0,1]=4 3176 B10R1.25 C=Cc1ccc(cc1N)C 271570a_100011290941_100011216686 [1,1,0,0,0,0|0,0,1]=3 3177 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,1,0,0,0,0|1,0,1]=4 3178 B10R1.25 C=Cc1ccc(cc1N)F 271570a_100011290941_100011218093 [1,1,0,0,0,0|1,0,1]=4 3179 B10R1.25 C=Cc1ccc(cc1N)N 271570a_100011290941_200012175722 [1,1,0,0,0,0|1,0,1]=4 3180 B10R1.25 C=Cc1ccc(cc1N)O 271570a_100011290941_100011999798 [1,1,0,0,0,0|1,0,1]=4 3181 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|1,0,1]=4 3182 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|0,0,1]=3 3183 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|1,0,1]=4 3184 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|1,0,1]=4 3185 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|1,0,1]=4 3186 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,1,0,0,0,0|1,0,1]=4 3187 B10R1.25 C=Cc1ccc(nc1F)C 271570a_100011290941_100010006597 [1,1,0,0,0,0|1,0,1]=4 3188 B10R1.25 C=Cc1ccc(nc1N)C 271570a_100011290941_100009816662 [1,1,0,0,0,0|1,0,1]=4 3189 B10R1.25 C=Cc1ccc(nc1O)C 271570a_100011290941_100009817604 [1,1,0,0,0,0|1,0,1]=4 3190 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [1,1,0,0,0,0|1,0,1]=4 3191 B10R1.25 C=Cc1cnc(cc1N)C 271570a_100011290941_100009817891 [1,1,0,0,0,0|1,0,1]=4 3192 B10R1.25 C=Cc1cnc(cc1O)C 271570a_100011290941_100011016184 [1,1,0,0,0,0|1,0,1]=4 3193 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,1,0,0,0,0|1,0,1]=4 3194 B10R1.25 C=Cc1ncc(cc1F)C 271570a_100011290941_100009819633 [1,1,0,0,0,0|1,0,1]=4 3195 B10R1.25 C=Cc1ncc(cc1N)C 271570a_100011290941_100000733613 [1,1,0,0,0,0|1,0,1]=4 3196 B10R1.25 C=Cc1ncc(cc1O)C 271570a_100011290941_100012000487 [1,1,0,0,0,0|1,0,1]=4 3197 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|1,0,1]=4 3198 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|1,0,1]=4 3199 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [1,1,0,0,0,0|1,0,1]=4 3200 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,1,0,0,0,0|1,0,1]=4 3201 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,1,0,0,0,0|1,0,1]=4 3202 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,1,0,0,0,0|1,0,1]=4 3203 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,1,0,0,0,0|1,0,1]=4 3204 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,1,0,0,0,0|1,0,1]=4 3205 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,1,0,0,0,0|1,0,1]=4 3206 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,1,0,0,0,0|1,0,1]=4 3207 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,1]=4 3208 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,1,0,0,0,0|1,0,1]=4 3209 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,1,0,0,0,0|1,0,1]=4 3210 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,1,0,0,0,0|1,0,1]=4 3211 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,1,0,0,0,0|1,0,1]=4 3212 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,1,0,0,0,0|1,0,1]=4 3213 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,1,0,0,0,0|1,0,1]=4 3214 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,1,0,0,0,0|1,0,1]=4 3215 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,1,0,0,0,0|1,0,1]=4 3216 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,1,0,0,0,0|1,0,1]=4 3217 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,1,0,0,0,0|1,0,1]=4 3218 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,1]=4 3219 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,1,0,0,0,0|1,0,1]=4 3220 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,1,0,0,0,0|1,0,1]=4 3221 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,1,0,0,0,0|1,0,1]=4 3222 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,1,0,0,0,0|1,0,1]=4 3223 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,1,0,0,0,0|1,0,1]=4 3224 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,1,0,0,0,0|1,0,1]=4 3225 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,1,0,0,0,0|1,0,1]=4 3226 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,1,0,0,0,0|1,0,1]=4 3227 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,1,0,0,0,0|1,0,1]=4 3228 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,1,0,0,0,0|1,0,1]=4 3229 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,1,0,0,0,0|1,0,1]=4 3230 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,1,0,0,0,0|1,0,1]=4 3231 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,1,0,0,0,0|1,0,1]=4 3232 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,1,0,0,0,0|1,0,1]=4 3233 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,1,0,0,0,0|1,0,1]=4 3234 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,0]=3 3235 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|2,0,0]=4 3236 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|2,0,0]=4 3237 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|1,0,1]=4 3238 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,1,0,0,0,0|2,0,0]=4 3239 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,1,0,0,0,0|2,0,0]=4 3240 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,1,0,0,0,0|1,0,1]=4 3241 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,1,0,0,0,0|1,0,1]=4 3242 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,1,0,0,0,0|1,0,1]=4 3243 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,1,0,0,0,0|1,0,1]=4 3244 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,1,0,0,0,0|1,0,1]=4 3245 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,1,0,0,0,0|1,0,1]=4 3246 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,1,0,0,0,0|1,0,1]=4 3247 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,1,0,0,0,0|1,0,1]=4 3248 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,1,0,0,0,0|1,0,1]=4 3249 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,1,0,0,0,0|1,0,1]=4 3250 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,1,0,0,0,0|1,0,1]=4 3251 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,1,0,0,0,0|1,0,1]=4 3252 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,1,0,0,0,0|1,0,1]=4 3253 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,1,0,0,0,0|1,0,1]=4 3254 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,1,0,0,0,0|1,0,1]=4 3255 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,1,0,0,0,0|1,0,1]=4 3256 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,1,0,0,0,0|1,0,1]=4 3257 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,1,0,0,0,0|1,0,1]=4 3258 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,1,0,0,0,0|1,0,1]=4 3259 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,1,0,0,0,0|1,0,1]=4 3260 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,1,0,0,0,0|1,0,1]=4 3261 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,1,0,0,0,0|1,0,1]=4 3262 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,1,0,0,0,0|1,0,1]=4 3263 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,1,0,0,0,0|1,0,1]=4 3264 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,1]=4 3265 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,1,0,0,0,0|1,0,1]=4 3266 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,1,0,0,0,0|1,0,1]=4 3267 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,1,0,0,0,0|1,0,1]=4 3268 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,1,0,0,0,0|1,0,1]=4 3269 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|0,0,0]=2 3270 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,1,0,0,0,0|2,0,0]=4 3271 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,1]=4 3272 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,1,0,0,0,0|1,0,1]=4 3273 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,1,0,0,0,0|1,0,1]=4 3274 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,1,0,0,0,0|1,0,0]=3 3275 B10R1.25 Cc1ccc(c(n1)O)CO 271570a_203496583355_102495338573 [1,1,0,0,0,0|1,0,1]=4 3276 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,1,0,0,0,0|2,0,0]=4 3277 B10R1.25 NCc1ccc(cc1F)O 271570a_203496583355_100000754580 [1,1,0,0,0,0|2,0,0]=4 3278 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|2,0,0]=4 3279 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [1,1,0,0,0,0|1,0,0]=3 3280 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [1,1,0,0,0,0|1,0,1]=4 3281 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [1,1,0,0,0,0|1,0,0]=3 3282 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [1,1,0,0,0,0|1,0,0]=3 3283 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [1,1,0,0,0,0|1,0,0]=3 3284 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|1,0,0]=3 3285 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|1,0,0]=3 3286 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|1,0,0]=3 3287 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|1,0,0]=3 3288 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [1,1,0,0,0,0|2,0,0]=4 3289 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [1,1,0,0,0,0|2,0,0]=4 3291 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [1,1,0,0,0,0|2,0,0]=4 3292 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [1,1,0,0,0,0|1,0,1]=4 3293 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [1,1,0,0,0,0|1,0,1]=4 3294 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|1,0,1]=4 3295 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|1,0,1]=4 3296 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|1,0,1]=4 3297 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|1,0,1]=4 3298 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|1,0,1]=4 3299 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [1,1,0,0,0,0|1,0,1]=4 3300 B10R1.176 C=Cc1cc(c(cn1)C)F 271570a_100011290941_100009841206 [1,1,0,0,0,0|1,0,1]=4 3301 B10R1.176 C=Cc1cc(c(cn1)C)N 271570a_100011290941_100000690170 [1,1,0,0,0,0|1,0,1]=4 3302 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,1,0,0,0,0|1,0,1]=4 3303 B10R1.176 C=Cc1ccc([n+](c1)[O-])C 271570a_100011290941_100000703231 [1,1,0,0,0,0|1,0,1]=4 3304 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,1,0,0,0,0|1,0,1]=4 3305 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,1,0,0,0,0|0,0,1]=3 3306 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,1,0,0,0,0|1,0,1]=4 3307 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,1,0,0,0,0|1,0,1]=4 3308 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,1,0,0,0,0|1,0,1]=4 3309 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,1,0,0,0,0|1,0,1]=4 3310 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|1,0,1]=4 3311 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|0,0,1]=3 3312 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|1,0,1]=4 3313 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|1,0,1]=4 3314 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|1,0,1]=4 3315 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|1,0,1]=4 3316 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,1,0,0,0,0|1,0,1]=4 3317 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,1,0,0,0,0|0,0,1]=3 3318 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,1,0,0,0,0|1,0,1]=4 3319 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,1,0,0,0,0|1,0,1]=4 3320 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,1,0,0,0,0|1,0,1]=4 3321 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,1,0,0,0,0|1,0,1]=4 3322 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,1,0,0,0,0|1,0,1]=4 3323 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,1,0,0,0,0|0,0,1]=3 3324 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,1,0,0,0,0|1,0,1]=4 3325 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,1,0,0,0,0|1,0,1]=4 3326 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,1,0,0,0,0|1,0,1]=4 3327 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,1,0,0,0,0|1,0,1]=4 3328 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,1,0,0,0,0|1,0,1]=4 3329 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,1,0,0,0,0|0,0,1]=3 3330 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,1,0,0,0,0|1,0,1]=4 3331 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,1,0,0,0,0|1,0,1]=4 3332 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,1,0,0,0,0|1,0,1]=4 3333 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,1,0,0,0,0|1,0,1]=4 3334 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|1,0,1]=4 3335 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|0,0,1]=3 3336 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|1,0,1]=4 3337 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|1,0,1]=4 3338 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|1,0,1]=4 3339 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|1,0,1]=4 3340 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [1,1,0,0,0,0|1,0,1]=4 3341 B10R1.176 C=Cc1ccc(c(n1)N)C 271570a_100011290941_100009857032 [1,1,0,0,0,0|1,0,1]=4 3342 B10R1.176 C=Cc1ccn(c(=O)c1)C 271570a_100011290941_100009820031 [1,1,0,0,0,0|1,0,1]=4 3343 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [1,1,0,0,0,0|1,0,1]=4 3344 B10R1.176 C=Cc1cnc(c(c1)F)C 271570a_100011290941_100009845756 [1,1,0,0,0,0|1,0,1]=4 3345 B10R1.176 C=Cc1cnc(c(c1)N)C 271570a_100011290941_100011999542 [1,1,0,0,0,0|1,0,1]=4 3346 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,1,0,0,0,0|1,0,1]=4 3347 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|1,0,1]=4 3348 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|1,0,1]=4 3349 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,1,0,0,0,0|1,0,1]=4 3350 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,1,0,0,0,0|1,0,1]=4 3351 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|1,0,1]=4 3352 B10R1.176 CNc1ccc(c(c1)Br)C 2230a_100000736455_200000210301 [1,1,0,0,0,0|1,0,1]=4 3353 B10R1.176 CNc1ccc(c(c1)Br)C 34a_100000736455_200000210301 [1,1,0,0,0,0|1,0,1]=4 3354 B10R1.176 CNc1ccc(c(c1)Br)C 7a_100000736455_200000210301 [1,1,0,0,0,0|1,0,1]=4 3355 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,1,0,0,0,0|1,0,1]=4 3356 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,1,0,0,0,0|1,0,1]=4 3357 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B10R1.176 CNc1ccc(c(c1)Cl)C 2230a_100000188892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B10R1.176 CNc1ccc(c(c1)Cl)C 34a_100000188892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3360 B10R1.176 CNc1ccc(c(c1)Cl)C 7a_100000188892_200000210301 [1,1,0,0,0,0|1,0,1]=4 3361 B10R1.176 CNc1ccc(c(c1)F)C 2230a_100000210958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3362 B10R1.176 CNc1ccc(c(c1)F)C 34a_100000210958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3363 B10R1.176 CNc1ccc(c(c1)F)C 7a_100000210958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3364 B10R1.176 CNc1ccc(c(c1)I)C 34a_100000184131_200000210301 [1,1,0,0,0,0|1,0,1]=4 3365 B10R1.176 CNc1ccc(c(c1)I)C 7a_100000184131_200000210301 [1,1,0,0,0,0|1,0,1]=4 3366 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,1,0,0,0,0|1,0,1]=4 3367 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,1,0,0,0,0|1,0,1]=4 3368 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,1,0,0,0,0|1,0,1]=4 3369 B10R1.176 COc1ccc(c(c1)Br)C 34a_100011380479_200000210301 [1,1,0,0,0,0|1,0,1]=4 3370 B10R1.176 COc1ccc(c(c1)Br)C 7a_100011380479_200000210301 [1,1,0,0,0,0|1,0,1]=4 3371 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,1,0,0,0,0|1,0,1]=4 3372 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,1,0,0,0,0|1,0,1]=4 3373 B10R1.176 COc1ccc(c(c1)Cl)C 34a_100011265682_200000210301 [1,1,0,0,0,0|1,0,1]=4 3374 B10R1.176 COc1ccc(c(c1)Cl)C 7a_100011265682_200000210301 [1,1,0,0,0,0|1,0,1]=4 3375 B10R1.176 COc1ccc(c(c1)F)C 34a_100000722560_200000210301 [1,1,0,0,0,0|1,0,1]=4 3376 B10R1.176 COc1ccc(c(c1)F)C 7a_100000722560_200000210301 [1,1,0,0,0,0|1,0,1]=4 3377 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [1,1,0,0,0,0|1,0,1]=4 3378 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [1,1,0,0,0,0|1,0,1]=4 3379 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,1,0,0,0,0|1,0,1]=4 3380 B10R1.176 CSc1ccc(c(c1)Br)C 62a_100011847877_200000210301 [1,1,0,0,0,0|1,0,1]=4 3381 B10R1.176 CSc1ccc(c(c1)Br)C 62a_200000210301_100011847877 [1,1,0,0,0,0|1,0,1]=4 3382 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,1,0,0,0,0|1,0,1]=4 3383 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,1,0,0,0,0|1,0,1]=4 3384 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_100011216363_200000210301 [1,1,0,0,0,0|1,0,1]=4 3385 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_200000210301_100011216363 [1,1,0,0,0,0|1,0,1]=4 3386 B10R1.176 CSc1ccc(c(c1)F)C 62a_100000720648_200000210301 [1,1,0,0,0,0|1,0,1]=4 3387 B10R1.176 CSc1ccc(c(c1)F)C 62a_200000210301_100000720648 [1,1,0,0,0,0|1,0,1]=4 3388 B10R1.176 CSc1ccc(c(c1)N)C 62a_100000761890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3389 B10R1.176 CSc1ccc(c(c1)N)C 62a_200000210301_100000761890 [1,1,0,0,0,0|1,0,1]=4 3390 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,1,0,0,0,0|1,0,1]=4 3391 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,1,0,0,0,0|1,0,1]=4 3392 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,0]=3 3393 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|2,0,0]=4 3394 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|1,0,1]=4 3395 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|2,0,0]=4 3396 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|2,0,0]=4 3397 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 2230a_100000736455_200025704644 [1,1,0,0,0,0|1,0,1]=4 3398 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 34a_100000736455_200025704644 [1,1,0,0,0,0|1,0,1]=4 3399 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 7a_100000736455_200025704644 [1,1,0,0,0,0|1,0,1]=4 3400 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 34a_100011380479_200025704644 [1,1,0,0,0,0|1,0,1]=4 3401 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 7a_100011380479_200025704644 [1,1,0,0,0,0|1,0,1]=4 3402 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_100011847877_200025704644 [1,1,0,0,0,0|1,0,1]=4 3403 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011847877 [1,1,0,0,0,0|1,0,1]=4 3404 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,1,0,0,0,0|1,0,1]=4 3405 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,1,0,0,0,0|1,0,1]=4 3406 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,1,0,0,0,0|1,0,1]=4 3407 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,1,0,0,0,0|1,0,1]=4 3408 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,1,0,0,0,0|1,0,1]=4 3409 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,1,0,0,0,0|1,0,1]=4 3410 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,1,0,0,0,0|1,0,1]=4 3411 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 2230a_100000188892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3412 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 34a_100000188892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3413 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 7a_100000188892_200025704644 [1,1,0,0,0,0|1,0,1]=4 3414 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 34a_100011265682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3415 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 7a_100011265682_200025704644 [1,1,0,0,0,0|1,0,1]=4 3416 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_100011216363_200025704644 [1,1,0,0,0,0|1,0,1]=4 3417 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011216363 [1,1,0,0,0,0|1,0,1]=4 3418 B10R1.176 Cc1ccc(cc1F)N[13CH3] 2230a_100000210958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3419 B10R1.176 Cc1ccc(cc1F)N[13CH3] 34a_100000210958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3420 B10R1.176 Cc1ccc(cc1F)N[13CH3] 7a_100000210958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3421 B10R1.176 Cc1ccc(cc1F)O[13CH3] 34a_100000722560_200025704644 [1,1,0,0,0,0|1,0,1]=4 3422 B10R1.176 Cc1ccc(cc1F)O[13CH3] 7a_100000722560_200025704644 [1,1,0,0,0,0|1,0,1]=4 3423 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_100000720648_200025704644 [1,1,0,0,0,0|1,0,1]=4 3424 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100000720648 [1,1,0,0,0,0|1,0,1]=4 3425 B10R1.176 Cc1ccc(cc1I)N[13CH3] 34a_100000184131_200025704644 [1,1,0,0,0,0|1,0,1]=4 3426 B10R1.176 Cc1ccc(cc1I)N[13CH3] 7a_100000184131_200025704644 [1,1,0,0,0,0|1,0,1]=4 3427 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [1,1,0,0,0,0|1,0,1]=4 3428 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [1,1,0,0,0,0|1,0,1]=4 3429 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_100000761890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3430 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_200025704644_100000761890 [1,1,0,0,0,0|1,0,1]=4 3431 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,1,0,0,0,0|1,0,1]=4 3432 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|0,0,0]=2 3433 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|0,0,1]=3 3434 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,1,0,0,0,0|2,0,0]=4 3435 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,1,0,0,0,0|1,0,1]=4 3436 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,1,0,0,0,0|1,0,1]=4 3437 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,1,0,0,0,0|1,0,1]=4 3438 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,1,0,0,0,0|1,0,1]=4 3439 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,1,0,0,0,0|1,0,0]=3 3440 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [1,1,0,0,0,0|1,0,1]=4 3441 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|2,0,0]=4 3442 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,1,0,0,0,0|2,0,0]=4 3443 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,1,0,0,0,0|2,0,0]=4 3444 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,1,0,0,0,0|1,0,1]=4 3445 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,1,0,0,0,0|2,0,0]=4 3446 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|1,0,0]=3 3447 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|1,0,0]=3 3448 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|1,0,0]=3 3449 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|1,0,0]=3 3450 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|1,0,0]=3 3451 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|1,0,0]=3 3452 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,1,0,0,0,0|2,0,0]=4 3453 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,1,0,0,0,0|2,0,0]=4 3454 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,1,0,0,0,0|1,0,1]=4 3455 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,1,0,0,0,0|1,0,1]=4 3456 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|1,0,1]=4 3457 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|1,0,1]=4 3458 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|1,0,1]=4 3459 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,0]=3 3460 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|1,0,1]=4 3461 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,1]=4 3462 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|1,0,1]=4 3463 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|1,0,1]=4 3464 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|1,0,1]=4 3465 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,1]=4 3466 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 3467 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 3468 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 3469 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 3470 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 3471 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 3472 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 3473 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 3474 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 3475 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 3476 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 3477 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3478 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 3479 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 3480 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 3481 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 3482 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 3483 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 3484 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 3485 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 3486 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 3487 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 3488 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 3489 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 3490 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 3491 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 3492 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 3493 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 3494 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 3495 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 3496 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 3497 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 3498 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 3499 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|2,0,0]=4 3500 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|2,0,0]=4 3501 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 3502 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 3503 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 3504 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 3505 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 3506 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 3507 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 3508 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 3509 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 3510 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 3511 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 3512 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 3513 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 3514 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 3515 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 3516 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3517 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 3518 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 3519 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 3520 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 3521 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 3522 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 3523 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 3524 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 3525 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 3526 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 3527 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 3528 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 3529 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3530 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 3531 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 3532 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 3533 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 3534 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 3535 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,1]=4 3536 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 3537 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|0,0,2]=4 3538 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3539 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3540 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3541 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3542 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 3543 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|2,0,0]=4 3544 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 3545 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 3546 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 3547 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 3548 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 3549 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 3550 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 3551 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 3552 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3553 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 3554 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 3555 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 3556 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 3557 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 3558 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 3559 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 3560 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 3561 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,0]=3 3562 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|1,0,1]=4 3563 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,1]=4 3564 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|1,0,1]=4 3565 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|1,0,1]=4 3566 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|1,0,1]=4 3567 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,1]=4 3568 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,0,1]=4 3569 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,1]=4 3570 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 3571 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3572 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 3573 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 3574 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 3575 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3576 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 3577 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 3578 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|2,0,0]=4 3579 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 3581 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|2,0,0]=4 3582 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|2,0,0]=4 3583 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|2,0,0]=4 3584 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|2,0,0]=4 3585 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 3586 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 3587 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 3588 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 3590 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 3591 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 3592 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 3593 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3594 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 3595 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 3596 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3597 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 3598 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 3599 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 3600 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3601 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 3602 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 3603 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3604 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 3605 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3608 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|2,0,0]=4 3609 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|2,0,0]=4 3611 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3612 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|2,0,0]=4 3613 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|2,0,0]=4 3614 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3615 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 3616 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 3618 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 3619 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 3620 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 3621 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 3622 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 3624 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 3625 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 3626 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 3628 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3629 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 3630 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 3631 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 3632 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 3633 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 3634 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3635 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 3637 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 3638 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 3644 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 3645 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|2,0,0]=4 3646 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 3647 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 3648 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 3649 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 3651 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,1]=4 3652 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 3653 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|0,0,0]=2 3654 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|0,0,2]=4 3655 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3656 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3657 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 3658 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3660 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3661 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3662 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3663 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3665 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3666 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3667 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 3668 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 3669 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 3670 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 3671 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3672 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3673 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 3674 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 3675 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 3676 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 3677 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 3678 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 3679 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 3680 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 3681 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 3682 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3683 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 3684 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 3685 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 3686 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 3687 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|2,0,0]=4 3688 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|2,0,0]=4 3689 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|2,0,0]=4 3690 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|2,0,0]=4 3691 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 3692 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 3693 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 3694 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|2,0,0]=4 3697 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 3698 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 3699 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,1,0,0,0,0|1,0,1]=4 3700 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,1,0,0,0,0|1,0,1]=4 3701 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,1,0,0,0,0|1,0,1]=4 3702 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,1,0,0,0,0|1,0,1]=4 3703 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,1,0,0,0,0|1,0,0]=3 3704 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,1,0,0,0,0|1,0,0]=3 3705 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,1,0,0,0,0|1,0,0]=3 3706 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,1,0,0,0,0|2,0,0]=4 3707 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,1,0,0,0,0|2,0,0]=4 3708 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,1,0,0,0,0|1,0,0]=3 3710 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,1,0,0,0,0|1,0,0]=3 3711 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,1,0,0,0,0|2,0,0]=4 3712 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,1,0,0,0,0|2,0,0]=4 3713 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [1,1,0,0,0,0|2,0,0]=4 3714 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [1,1,0,0,0,0|2,0,0]=4 3715 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [1,1,0,0,0,0|2,0,0]=4 3716 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [1,1,0,0,0,0|2,0,0]=4 3717 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,1,0,0,0,0|2,0,0]=4 3718 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,1,0,0,0,0|1,0,1]=4 3719 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,1,0,0,0,0|1,0,1]=4 3720 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 3721 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,1,0,0,0,0|1,0,1]=4 3722 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,1,0,0,0,0|1,0,1]=4 3723 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,1,0,0,0,0|1,0,1]=4 3724 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 3725 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 3726 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,1,0,0,0,0|1,0,1]=4 3727 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,1,0,0,0,0|1,0,1]=4 3728 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,1,0,0,0,0|1,0,1]=4 3729 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 3730 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,1,0,0,0,0|1,0,1]=4 3731 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,1,0,0,0,0|1,0,1]=4 3732 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,1,0,0,0,0|1,0,1]=4 3733 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,1,0,0,0,0|1,0,1]=4 3734 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 3735 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 3736 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,1,0,0,0,0|1,0,1]=4 3737 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,1,0,0,0,0|1,0,1]=4 3738 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,1,0,0,0,0|1,0,1]=4 3739 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,1,0,0,0,0|2,0,0]=4 3740 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,1,0,0,0,0|0,0,2]=4 3741 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,1,0,0,0,0|0,0,2]=4 3742 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,1,0,0,0,0|0,0,2]=4 3743 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,1,0,0,0,0|2,0,0]=4 3744 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,1,0,0,0,0|2,0,0]=4 3745 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,1,0,0,0,0|0,1,1]=4 3746 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,1,0,0,0,0|0,1,1]=4 3747 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,1,0,0,0,0|2,0,0]=4 3748 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,1,0,0,0,0|2,0,0]=4 3749 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,1,0,0,0,0|2,0,0]=4 3750 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,1,0,0,0,0|2,0,0]=4 3751 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,1,0,0,0,0|2,0,0]=4 3752 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,1,0,0,0,0|2,0,0]=4 3753 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,1,0,0,0,0|1,0,1]=4 3754 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 3755 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,1,0,0,0,0|1,0,1]=4 3756 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,1,0,0,0,0|1,0,1]=4 3757 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,1,0,0,0,0|1,0,1]=4 3758 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,1,0,0,0,0|1,0,1]=4 3759 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 3760 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,1,0,0,0,0|1,0,1]=4 3761 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,1,0,0,0,0|1,0,1]=4 3762 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,1,0,0,0,0|1,0,1]=4 3763 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,1,0,0,0,0|1,0,1]=4 3764 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,1,0,0,0,0|1,0,1]=4 3765 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,1,0,0,0,0|1,0,1]=4 3766 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,1,0,0,0,0|0,0,0]=2 3767 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,1,0,0,0,0|0,0,0]=2 3768 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,1,0,0,0,0|0,0,0]=2 3769 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,1,0,0,0,0|1,0,0]=3 3770 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,1,0,0,0,0|1,0,0]=3 3771 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,1,0,0,0,0|1,0,0]=3 3772 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [1,1,0,0,0,0|2,0,0]=4 3773 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [1,1,0,0,0,0|2,0,0]=4 3774 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,1,0,0,0,0|0,0,0]=2 3775 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,1,0,0,0,0|0,0,0]=2 3776 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,1,0,0,0,0|1,0,0]=3 3777 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,1,0,0,0,0|1,0,0]=3 3778 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,1,0,0,0,0|1,0,0]=3 3779 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,1,0,0,0,0|1,0,0]=3 3780 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,1,0,0,0,0|2,0,0]=4 3781 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,1,0,0,0,0|2,0,0]=4 3782 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,1,0,0,0,0|1,0,0]=3 3783 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,1,0,0,0,0|1,0,0]=3 3784 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,1,0,0,0,0|2,0,0]=4 3785 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,1,0,0,0,0|2,0,0]=4 3786 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [1,1,0,0,0,0|2,0,0]=4 3787 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [1,1,0,0,0,0|2,0,0]=4 3788 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,1,0,0,0,0|2,0,0]=4 3789 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,1,0,0,0,0|2,0,0]=4 3790 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [1,1,0,0,0,0|2,0,0]=4 3791 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [1,1,0,0,0,0|2,0,0]=4 3792 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,1,0,0,0,0|2,0,0]=4 3793 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,1,0,0,0,0|2,0,0]=4 3794 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,1,0,0,0,0|0,0,2]=4 3795 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,1,0,0,0,0|0,0,2]=4 3796 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,1,0,0,0,0|0,0,2]=4 3797 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,1,0,0,0,0|0,0,2]=4 3798 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,1,0,0,0,0|0,0,2]=4 3799 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 3800 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,1,0,0,0,0|1,0,1]=4 3801 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,1,0,0,0,0|0,0,2]=4 3802 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,1,0,0,0,0|0,0,2]=4 3803 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,1,0,0,0,0|0,1,1]=4 3804 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,1,0,0,0,0|0,1,1]=4 3805 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,1,0,0,0,0|2,0,0]=4 3806 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,1,0,0,0,0|2,0,0]=4 3807 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,1,0,0,0,0|1,0,1]=4 3808 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,1,0,0,0,0|1,0,0]=3 3809 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|0,0,0]=2 3810 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,1,0,0,0,0|1,0,0]=3 3811 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,1,0,0,0,0|1,0,0]=3 3812 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,1,0,0,0,0|1,0,0]=3 3813 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,1,0,0,0,0|1,0,0]=3 3814 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [1,1,0,0,0,0|2,0,0]=4 3815 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,1,0,0,0,0|1,0,0]=3 3816 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [1,1,0,0,0,0|2,0,0]=4 3817 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [1,1,0,0,0,0|2,0,0]=4 3818 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [1,1,0,0,0,0|2,0,0]=4 3819 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [1,1,0,0,0,0|2,0,0]=4 3820 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 3821 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,1,0,0,0,0|1,0,0]=3 3822 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,1,0,0,0,0|1,0,0]=3 3823 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,1,0,0,0,0|1,0,0]=3 3824 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 3825 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|2,0,0]=4 3826 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|2,0,0]=4 3827 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|2,0,0]=4 3828 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|2,0,0]=4 3829 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 3830 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|2,0,0]=4 3831 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,1,0,0,0,0|1,0,0]=3 3832 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,1,0,0,0,0|1,0,0]=3 3833 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,1,0,0,0,0|1,0,0]=3 3834 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [1,1,0,0,0,0|2,0,0]=4 3835 B10R1.16 C=CCSc1cc(cs1)C 62a_100000210623_100009876951 [0,1,0,0,1,0|2,0,0]=4 3836 B10R1.16 C=CCSc1cc(cs1)C 62a_100009876951_100000210623 [0,1,0,0,1,0|2,0,0]=4 3837 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,1,0,0,1,0|2,0,0]=4 3838 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,1,0,0,1,0|2,0,0]=4 3839 B10R1.16 C=CCSc1csc(c1)C 62a_100000210623_100000759034 [0,1,0,0,1,0|2,0,0]=4 3840 B10R1.16 C=CCSc1csc(c1)C 62a_100000759034_100000210623 [0,1,0,0,1,0|2,0,0]=4 3841 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_100161115468_200015260668 [0,1,0,0,1,0|2,0,0]=4 3842 B10R1.16 Cc1c[nH]c(n1)SCC=O 62a_200015260668_100161115468 [0,1,0,0,1,0|2,0,0]=4 3843 B10R1.16 Cc1cc(cs1)SCC=O 62a_100000759034_200015260668 [0,1,0,0,1,0|1,0,0]=3 3844 B10R1.16 Cc1cc(cs1)SCC=O 62a_200015260668_100000759034 [0,1,0,0,1,0|1,0,0]=3 3845 B10R1.16 Cc1cc(n[nH]1)SCC=O 62a_100009819999_200015260668 [0,1,0,0,1,0|2,0,0]=4 3846 B10R1.16 Cc1cc(n[nH]1)SCC=O 62a_200015260668_100009819999 [0,1,0,0,1,0|2,0,0]=4 3847 B10R1.16 Cc1cc(no1)SCC=O 62a_100000716708_200015260668 [0,1,0,0,1,0|2,0,0]=4 3848 B10R1.16 Cc1cc(no1)SCC=O 62a_200015260668_100000716708 [0,1,0,0,1,0|2,0,0]=4 3849 B10R1.16 Cc1cc(sn1)SCC=O 62a_100009815735_200015260668 [0,1,0,0,1,0|2,0,0]=4 3850 B10R1.16 Cc1cc(sn1)SCC=O 62a_200015260668_100009815735 [0,1,0,0,1,0|2,0,0]=4 3851 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,1,0,0,1,0|1,0,0]=3 3852 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,1,0,0,1,0|1,0,0]=3 3853 B10R1.16 Cc1cnc(s1)SCC=O 62a_100000690809_200015260668 [0,1,0,0,1,0|2,0,0]=4 3854 B10R1.16 Cc1cnc(s1)SCC=O 62a_200015260668_100000690809 [0,1,0,0,1,0|2,0,0]=4 3855 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [0,1,0,0,1,0|1,0,0]=3 3856 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [0,1,0,0,1,0|1,0,0]=3 3857 B10R1.16 Cc1csc(n1)SCC=O 62a_100011291629_200015260668 [0,1,0,0,1,0|2,0,0]=4 3858 B10R1.16 Cc1csc(n1)SCC=O 62a_200015260668_100011291629 [0,1,0,0,1,0|2,0,0]=4 3859 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_100009814057_200015260668 [0,1,0,0,1,0|2,0,0]=4 3860 B10R1.16 Cc1nc(c[nH]1)SCC=O 62a_200015260668_100009814057 [0,1,0,0,1,0|2,0,0]=4 3861 B10R1.16 Cc1nc(cs1)SCC=O 62a_100011934587_200015260668 [0,1,0,0,1,0|2,0,0]=4 3862 B10R1.16 Cc1nc(cs1)SCC=O 62a_200015260668_100011934587 [0,1,0,0,1,0|2,0,0]=4 3863 B10R1.16 Cc1ncc(s1)SCC=O 62a_100000764884_200015260668 [0,1,0,0,1,0|2,0,0]=4 3864 B10R1.16 Cc1ncc(s1)SCC=O 62a_200015260668_100000764884 [0,1,0,0,1,0|2,0,0]=4 3865 B10R1.16 Cn1cc(cn1)OCC=O 34a_100000707646_200009817547 [0,1,0,0,1,0|2,0,0]=4 3866 B10R1.16 Cn1cc(cn1)SCC=O 62a_100000745744_200015260668 [0,1,0,0,1,0|2,0,0]=4 3867 B10R1.16 Cn1cc(cn1)SCC=O 62a_200015260668_100000745744 [0,1,0,0,1,0|2,0,0]=4 3868 B10R1.16 Cn1ccc(n1)OCC=O 34a_100012642153_200009817547 [0,1,0,0,1,0|2,0,0]=4 3869 B10R1.16 Cn1ccc(n1)SCC=O 62a_100000752436_200015260668 [0,1,0,0,1,0|2,0,0]=4 3870 B10R1.16 Cn1ccc(n1)SCC=O 62a_200015260668_100000752436 [0,1,0,0,1,0|2,0,0]=4 3871 B10R1.16 Cn1cnc(c1)SCC=O 62a_100000040308_200015260668 [0,1,0,0,1,0|2,0,0]=4 3872 B10R1.16 Cn1cnc(c1)SCC=O 62a_200015260668_100000040308 [0,1,0,0,1,0|2,0,0]=4 3873 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [0,1,0,0,1,0|2,0,0]=4 3874 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [0,1,0,0,1,0|2,0,0]=4 3875 B10R1.54 CC(=O)C[n+]1ccn(c1)C 1458a_100000765871_200000210301 [0,1,0,0,1,0|2,0,0]=4 3876 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|2,0,0]=4 3877 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|2,0,0]=4 3878 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,0,1,0|2,0,0]=4 3879 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,0,1,0|2,0,0]=4 3880 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,1,0|2,0,0]=4 3881 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|2,0,0]=4 3882 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|2,0,0]=4 3883 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|2,0,0]=4 3884 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|2,0,0]=4 3885 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,1,0|2,0,0]=4 3886 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,1,0|2,0,0]=4 3887 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,1,0|2,0,0]=4 3888 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,1,0,0,1,0|2,0,0]=4 3889 B10R1.54 CC(=O)Cc1cnn(c1)C 1458a_100000070787_100000744441 [0,1,0,0,1,0|2,0,0]=4 3890 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,1,0|2,0,0]=4 3891 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,1,0|2,0,0]=4 3892 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,1,0|2,0,0]=4 3893 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,1,0|2,0,0]=4 3894 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,0,1,0|2,0,0]=4 3895 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,1,0|2,0,0]=4 3896 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,1,0|2,0,0]=4 3897 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,1,0|2,0,0]=4 3898 B10R1.54 Cn1cc[n+](c1)CC(=O)[13CH3] 1458a_100000765871_200025704644 [0,1,0,0,1,0|2,0,0]=4 3899 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,1,0|2,0,0]=4 3900 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|2,0,0]=4 3901 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|2,0,0]=4 3902 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|2,0,0]=4 3903 B12R1.1 C#CCCNc1ccc(cc1)C 34a_100000124888_100000688953 [0,2,0,0,0,0|1,0,1]=4 3904 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,2,0,0,0,0|1,0,1]=4 3905 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,2,0,0,0,0|1,0,1]=4 3906 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000186775_100000688953 [0,2,0,0,0,0|1,0,1]=4 3907 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000688953_100000186775 [0,2,0,0,0,0|1,0,1]=4 3908 B12R1.1 C#CCNCc1ccc(cc1)C 2230a_100000174908_100000038162 [0,2,0,0,0,0|1,0,1]=4 3909 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000174908_100000184674 [0,2,0,0,0,0|1,0,1]=4 3910 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000212058_100000210814 [0,2,0,0,0,0|1,0,1]=4 3911 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,2,0,0,0,0|1,0,1]=4 3912 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,2,0,0,0,0|1,0,1]=4 3913 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,2,0,0,0,0|1,0,1]=4 3914 B12R1.1 C#CCSCc1ccc(cc1)C 62a_100000038162_100000210814 [0,2,0,0,0,0|1,0,1]=4 3915 B12R1.1 C/C=C/CNc1ccc(cc1)Br 34a_100000210018_100102629194 [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [0,2,0,0,0,0|1,0,0]=3 3917 B12R1.1 C/C=C/CNc1ccc(cc1)Cl 34a_100000210052_100102629194 [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.1 C/C=C/CNc1ccc(cc1)F 34a_100000185862_100102629194 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.1 C/C=C/CNc1ccc(cc1)I 34a_100000185761_100102629194 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.1 C/C=C/COc1ccc(cc1)Br 34a_100000185759_100102629194 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.1 C/C=C/COc1ccc(cc1)Br 7a_100000185759_100102629194 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [0,2,0,0,0,0|1,0,0]=3 3924 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [0,2,0,0,0,0|1,0,0]=3 3925 B12R1.1 C/C=C/COc1ccc(cc1)Cl 34a_100000210216_100102629194 [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.1 C/C=C/COc1ccc(cc1)Cl 7a_100000210216_100102629194 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.1 C/C=C/COc1ccc(cc1)F 34a_100000210339_100102629194 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.1 C/C=C/COc1ccc(cc1)I 34a_100000212066_100102629194 [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.1 C/C=C/COc1ccc(cc1)I 7a_100000212066_100102629194 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.1 C/C=C/COc1ccc(cc1)N 34a_100000185829_100102629194 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.1 C/C=C/COc1ccc(cn1)C 34a_100000759353_100102629194 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.1 C/C=C/COc1ccc(nc1)C 34a_100000745506_100102629194 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.1 C/C=C/COc1ccc(nc1)C 7a_100000745506_100102629194 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100000752885_100102629194 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.1 C/C=C/CSc1ccc(cc1)Br 62a_100102629194_100000752885 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [0,2,0,0,0,0|1,0,0]=3 3937 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [0,2,0,0,0,0|1,0,0]=3 3938 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100000755918_100102629194 [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.1 C/C=C/CSc1ccc(cc1)Cl 62a_100102629194_100000755918 [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100000211213_100102629194 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.1 C/C=C/CSc1ccc(cc1)F 62a_100102629194_100000211213 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100000185761_100102629194 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.1 C/C=C/CSc1ccc(cc1)N 62a_100102629194_100000185761 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100011192072_100102629194 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.1 C/C=C/CSc1ccc(cn1)C 62a_100102629194_100000754016 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100000751577_100102629194 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.1 C/C=C/CSc1ccc(nc1)C 62a_100102629194_100000751577 [0,2,0,0,0,0|2,0,0]=4 3949 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|1,0,0]=3 3952 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 3956 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|2,0,0]=4 3958 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|2,0,0]=4 3959 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|1,0,0]=3 3960 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|1,0,0]=3 3961 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|2,0,0]=4 3962 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|2,0,0]=4 3966 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.1 C=CCCOc1ccc(cn1)C 34a_100000759353_100000754431 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.1 C=CCCOc1ccc(nc1)C 34a_100000745506_100000754431 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.1 C=CCCOc1ccc(nc1)C 7a_100000745506_100000754431 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|1,0,0]=3 3974 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|1,0,0]=3 3975 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|2,0,0]=4 3978 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 3980 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|2,0,0]=4 3981 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|2,0,0]=4 3982 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100000754431_100000754016 [0,2,0,0,0,0|2,0,0]=4 3983 B12R1.1 C=CCCSc1ccc(cn1)C 62a_100011192072_100000754431 [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000751577_100000754431 [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.1 C=CCCSc1ccc(nc1)C 62a_100000754431_100000751577 [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|2,0,0]=4 3987 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|2,0,0]=4 3988 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|1,0,0]=3 3991 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|1,0,0]=3 3992 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|1,0,0]=3 3993 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|1,0,0]=3 3994 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.1 C=CCNCc1ccc(cn1)C 2230a_100020586998_100000691093 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.1 C=CCNCc1ccc(cn1)C 270004a_100020586998_100000050478 [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.1 C=CCNCc1ccc(cn1)C 34a_100015187455_100015514636 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.1 C=CCNCc1ccc(nc1)C 2230a_100020586998_100016987292 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.1 C=CCNCc1ccc(nc1)C 270004a_100020586998_100000743784 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.1 C=CCNCc1ccc(nc1)C 34a_100000740942_100015514636 [0,2,0,0,0,0|2,0,0]=4 4012 B12R1.1 C=CCOCc1cc[n+](cc1)C 34a_100009831711_100015514636 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|1,0,0]=3 4016 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|1,0,0]=3 4017 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|1,0,0]=3 4018 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|2,0,0]=4 4019 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|2,0,0]=4 4020 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|2,0,0]=4 4021 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|2,0,0]=4 4022 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|2,0,0]=4 4023 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|2,0,0]=4 4024 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|2,0,0]=4 4025 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|2,0,0]=4 4026 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|2,0,0]=4 4027 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|2,0,0]=4 4028 B12R1.1 C=CCOCc1ccc(cn1)C 34a_100012001401_100015514636 [0,2,0,0,0,0|2,0,0]=4 4029 B12R1.1 C=CCOCc1ccc(cn1)C 34a_200000210373_100000691093 [0,2,0,0,0,0|2,0,0]=4 4030 B12R1.1 C=CCOCc1ccc(nc1)C 34a_100011248133_100015514636 [0,2,0,0,0,0|2,0,0]=4 4031 B12R1.1 C=CCOCc1ccc(nc1)C 34a_200000210373_100016987292 [0,2,0,0,0,0|2,0,0]=4 4032 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|2,0,0]=4 4033 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|1,0,0]=3 4035 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|1,0,0]=3 4036 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000210623_100000691093 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.1 C=CCSCc1ccc(cn1)C 62a_100000691093_100000210623 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100000210623_100016987292 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.1 C=CCSCc1ccc(nc1)C 62a_100016987292_100000210623 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.1 CC#CCNc1ccc(cc1)C 34a_100000124888_100000748600 [0,2,0,0,0,0|1,0,1]=4 4047 B12R1.1 CC#CCOc1ccc(cc1)C 34a_100000210336_100000748600 [0,2,0,0,0,0|1,0,1]=4 4048 B12R1.1 CC#CCOc1ccc(cc1)C 7a_100000210336_100000748600 [0,2,0,0,0,0|1,0,1]=4 4049 B12R1.1 CC#CCSc1ccc(cc1)C 62a_100000186775_100000748600 [0,2,0,0,0,0|1,0,1]=4 4050 B12R1.1 CC#CCSc1ccc(cc1)C 62a_100000748600_100000186775 [0,2,0,0,0,0|1,0,1]=4 4051 B12R1.1 CC=CCNc1ccc(cc1)Br 2230a_100000210018_100000070051 [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.1 CC=CCNc1ccc(cc1)Br 34a_100000210018_100000070051 [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [0,2,0,0,0,0|1,0,0]=3 4054 B12R1.1 CC=CCNc1ccc(cc1)Cl 2230a_100000210052_100000070051 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.1 CC=CCNc1ccc(cc1)Cl 34a_100000210052_100000070051 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.1 CC=CCNc1ccc(cc1)F 34a_100000185862_100000070051 [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.1 CC=CCNc1ccc(cc1)I 34a_100000185761_100000070051 [0,2,0,0,0,0|2,0,0]=4 4058 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.1 CC=CCOc1ccc(cc1)Br 34a_100000185759_100000070051 [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.1 CC=CCOc1ccc(cc1)Br 7a_100000185759_100000070051 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [0,2,0,0,0,0|1,0,0]=3 4063 B12R1.1 CC=CCOc1ccc(cc1)Cl 34a_100000210216_100000070051 [0,2,0,0,0,0|2,0,0]=4 4064 B12R1.1 CC=CCOc1ccc(cc1)Cl 7a_100000210216_100000070051 [0,2,0,0,0,0|2,0,0]=4 4065 B12R1.1 CC=CCOc1ccc(cc1)F 34a_100000210339_100000070051 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.1 CC=CCOc1ccc(cc1)I 34a_100000212066_100000070051 [0,2,0,0,0,0|2,0,0]=4 4067 B12R1.1 CC=CCOc1ccc(cc1)I 7a_100000212066_100000070051 [0,2,0,0,0,0|2,0,0]=4 4068 B12R1.1 CC=CCOc1ccc(cc1)N 34a_100000185829_100000070051 [0,2,0,0,0,0|2,0,0]=4 4069 B12R1.1 CC=CCOc1ccc(cn1)C 34a_100000759353_100000070051 [0,2,0,0,0,0|2,0,0]=4 4070 B12R1.1 CC=CCOc1ccc(nc1)C 34a_100000745506_100000070051 [0,2,0,0,0,0|2,0,0]=4 4071 B12R1.1 CC=CCOc1ccc(nc1)C 7a_100000745506_100000070051 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000070051_100000752885 [0,2,0,0,0,0|2,0,0]=4 4073 B12R1.1 CC=CCSc1ccc(cc1)Br 62a_100000752885_100000070051 [0,2,0,0,0,0|2,0,0]=4 4074 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [0,2,0,0,0,0|1,0,0]=3 4075 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000070051_100000755918 [0,2,0,0,0,0|2,0,0]=4 4077 B12R1.1 CC=CCSc1ccc(cc1)Cl 62a_100000755918_100000070051 [0,2,0,0,0,0|2,0,0]=4 4078 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000070051_100000211213 [0,2,0,0,0,0|2,0,0]=4 4079 B12R1.1 CC=CCSc1ccc(cc1)F 62a_100000211213_100000070051 [0,2,0,0,0,0|2,0,0]=4 4080 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000070051_100000185761 [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.1 CC=CCSc1ccc(cc1)N 62a_100000185761_100000070051 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100000070051_100000754016 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.1 CC=CCSc1ccc(cn1)C 62a_100011192072_100000070051 [0,2,0,0,0,0|2,0,0]=4 4085 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000070051_100000751577 [0,2,0,0,0,0|2,0,0]=4 4086 B12R1.1 CC=CCSc1ccc(nc1)C 62a_100000751577_100000070051 [0,2,0,0,0,0|2,0,0]=4 4087 B12R1.1 CC=NNCc1ccc(cc1)Br 4a_100016993955_200000210099 [0,2,0,0,0,0|2,0,0]=4 4088 B12R1.1 CC=NNCc1ccc(cc1)C 4a_100011197965_200000210099 [0,2,0,0,0,0|1,0,0]=3 4089 B12R1.1 CC=NNCc1ccc(cc1)Cl 4a_100000689899_200000210099 [0,2,0,0,0,0|2,0,0]=4 4090 B12R1.1 CC=NNCc1ccc(cc1)F 4a_100000689900_200000210099 [0,2,0,0,0,0|2,0,0]=4 4091 B12R1.1 CC=NNCc1ccc(cc1)I 4a_102495363730_200000210099 [0,2,0,0,0,0|2,0,0]=4 4092 B12R1.1 CCC=NNc1ccc(cc1)C 4a_100000683527_100000210100 [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [0,2,0,0,0,0|1,0,1]=4 4094 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,2,0,0,0,0|1,0,1]=4 4095 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|1,0,1]=4 4096 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|1,0,1]=4 4097 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,2,0,0,0,0|1,0,1]=4 4098 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,2,0,0,0,0|1,0,1]=4 4099 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,2,0,0,0,0|1,0,1]=4 4101 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,2,0,0,0,0|1,0,1]=4 4102 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|1,0,1]=4 4104 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|1,0,1]=4 4105 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|1,0,1]=4 4106 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,2,0,0,0,0|1,0,1]=4 4107 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,2,0,0,0,0|1,0,1]=4 4109 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [0,2,0,0,0,0|0,0,2]=4 4112 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,2,0,0,0,0|0,0,2]=4 4113 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,2,0,0,0,0|0,0,2]=4 4114 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,2,0,0,0,0|0,0,2]=4 4115 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [0,2,0,0,0,0|1,0,1]=4 4116 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [0,2,0,0,0,0|1,0,1]=4 4117 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,2,0,0,0,0|0,1,1]=4 4118 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,2,0,0,0,0|0,1,1]=4 4119 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [0,2,0,0,0,0|1,0,1]=4 4120 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,2,0,0,0,0|1,0,1]=4 4121 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,2,0,0,0,0|1,0,1]=4 4122 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|1,0,1]=4 4123 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|1,0,1]=4 4124 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|1,0,1]=4 4125 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|1,0,1]=4 4126 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|1,0,1]=4 4127 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,2,0,0,0,0|1,0,1]=4 4128 B12R1.1 COCC#Cc1ccc(cc1)C 34a_100000696136_200000210301 [0,2,0,0,0,0|2,0,0]=4 4129 B12R1.1 COCC#Cc1ccc(cc1)C 7a_100000696136_200000210301 [0,2,0,0,0,0|2,0,0]=4 4130 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [0,2,0,0,0,0|0,0,2]=4 4131 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,2,0,0,0,0|0,0,2]=4 4132 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,2,0,0,0,0|0,0,2]=4 4133 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,2,0,0,0,0|0,0,2]=4 4134 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|0,0,2]=4 4135 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|0,0,2]=4 4136 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|0,0,2]=4 4137 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|0,0,2]=4 4138 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|0,0,2]=4 4139 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,2,0,0,0,0|0,0,2]=4 4140 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,2,0,0,0,0|0,0,2]=4 4141 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,2,0,0,0,0|0,0,2]=4 4142 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,2,0,0,0,0|0,0,2]=4 4143 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|0,0,2]=4 4144 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,2,0,0,0,0|0,0,2]=4 4145 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,2,0,0,0,0|0,0,2]=4 4146 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,2,0,0,0,0|0,1,1]=4 4147 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|0,1,1]=4 4148 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|0,1,1]=4 4149 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|0,1,1]=4 4150 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|0,1,1]=4 4151 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,2,0,0,0,0|0,1,1]=4 4152 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,2,0,0,0,0|0,1,1]=4 4153 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,2,0,0,0,0|0,1,1]=4 4154 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,2,0,0,0,0|0,1,1]=4 4155 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|0,1,1]=4 4156 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [0,2,0,0,0,0|0,1,1]=4 4157 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [0,2,0,0,0,0|0,1,1]=4 4158 B12R1.1 C[n+]1ccc(cc1)COCC=O 34a_100009831711_200009817547 [0,2,0,0,0,0|1,0,0]=3 4159 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 34a_100000696136_200025704644 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.1 Cc1ccc(cc1)C#CCO[13CH3] 7a_100000696136_200025704644 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,2,0,0,0,0|1,0,1]=4 4162 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,2,0,0,0,0|1,0,1]=4 4163 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,2,0,0,0,0|0,0,2]=4 4164 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,2,0,0,0,0|0,0,2]=4 4165 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,2,0,0,0,0|1,0,1]=4 4166 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,2,0,0,0,0|0,0,2]=4 4167 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,2,0,0,0,0|0,0,2]=4 4168 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,2,0,0,0,0|0,1,1]=4 4169 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,2,0,0,0,0|0,1,1]=4 4170 B12R1.1 Cc1ccc(cc1)CNCC#N 2230a_100000174908_100011215382 [0,2,0,0,0,0|1,0,1]=4 4171 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|0,0,0]=2 4172 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|0,0,0]=2 4173 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,2,0,0,0,0|1,0,1]=4 4174 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,2,0,0,0,0|1,0,1]=4 4175 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,2,0,0,0,0|1,0,1]=4 4176 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,2,0,0,0,0|0,0,2]=4 4177 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,2,0,0,0,0|0,0,2]=4 4178 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,2,0,0,0,0|0,0,2]=4 4179 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,2,0,0,0,0|0,0,2]=4 4180 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,2,0,0,0,0|0,0,2]=4 4181 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,2,0,0,0,0|0,0,2]=4 4182 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,2,0,0,0,0|1,0,1]=4 4183 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|0,0,0]=2 4184 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|0,0,0]=2 4185 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,2,0,0,0,0|1,0,1]=4 4186 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,2,0,0,0,0|1,0,1]=4 4187 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,2,0,0,0,0|1,0,1]=4 4188 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,2,0,0,0,0|1,0,1]=4 4189 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|0,0,2]=4 4190 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|0,0,2]=4 4191 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100000210814_100011215382 [0,2,0,0,0,0|1,0,1]=4 4192 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100011215382_100000210814 [0,2,0,0,0,0|1,0,1]=4 4193 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|0,0,0]=2 4194 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|0,0,0]=2 4195 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,2,0,0,0,0|1,0,1]=4 4196 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,2,0,0,0,0|1,0,1]=4 4197 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,2,0,0,0,0|0,0,2]=4 4198 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,2,0,0,0,0|0,0,2]=4 4199 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,2,0,0,0,0|1,0,1]=4 4200 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,2,0,0,0,0|0,0,2]=4 4201 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,2,0,0,0,0|1,0,1]=4 4202 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,2,0,0,0,0|1,0,1]=4 4203 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,2,0,0,0,0|1,0,1]=4 4204 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|0,0,2]=4 4205 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|0,0,2]=4 4206 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|1,0,1]=4 4207 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|1,0,1]=4 4208 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|0,0,2]=4 4209 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|0,0,2]=4 4210 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|0,1,1]=4 4211 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|0,1,1]=4 4212 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100000186775_100011215226 [0,2,0,0,0,0|1,0,1]=4 4213 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100011215226_100000186775 [0,2,0,0,0,0|1,0,1]=4 4214 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,2,0,0,0,0|1,0,1]=4 4215 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,2,0,0,0,0|1,0,1]=4 4216 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,2,0,0,0,0|0,0,2]=4 4217 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,2,0,0,0,0|0,0,2]=4 4218 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,2,0,0,0,0|1,0,1]=4 4219 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,2,0,0,0,0|0,0,2]=4 4220 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,2,0,0,0,0|0,0,2]=4 4221 B12R1.1 Cc1ccc(cc1)SCSC#N 62a_100000186775_100000211825 [0,2,0,0,0,0|1,0,1]=4 4222 B12R1.1 Cc1ccc(cc1)SCSC#N 62a_100000211825_100000186775 [0,2,0,0,0,0|1,0,1]=4 4223 B12R1.1 Cc1ccc(cn1)CNCC=O 34a_100000740942_200009817547 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.1 Cc1ccc(cn1)COCC=O 34a_100011248133_200009817547 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_100016987292_200015260668 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.1 Cc1ccc(cn1)CSCC=O 62a_200015260668_100016987292 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.1 Cc1ccc(nc1)CNCC=O 34a_100015187455_200009817547 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.1 Cc1ccc(nc1)COCC=O 34a_100012001401_200009817547 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_100000691093_200015260668 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.1 Cc1ccc(nc1)CSCC=O 62a_200015260668_100000691093 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.1 Cc1cnc(cn1)CNCC=O 34a_100132314150_200009817547 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.1 Cc1cnc(cn1)COCC=O 34a_100011273949_200009817547 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.1 Cc1cnc(cn1)CSCC=O 62a_100000752025_200015260668 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.1 Cc1cnc(cn1)CSCC=O 62a_200015260668_100000752025 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.1 Cc1cnc(nc1)CSCC=O 62a_100000685645_200015260668 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.1 Cc1cnc(nc1)CSCC=O 62a_200015260668_100000685645 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.1 Cc1ncc(cn1)COCC=O 34a_100011746891_200009817547 [0,2,0,0,0,0|2,0,0]=4 4238 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|1,0,0]=3 4239 B12R1.1 Nc1ccc(cn1)COCC=O 34a_100000704267_200009817547 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.1 Nc1ccc(nc1)COCC=O 34a_100011998161_200009817547 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|1,0,0]=3 4243 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|1,0,0]=3 4244 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|1,0,0]=3 4249 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|1,0,0]=3 4250 B12R1.1 O=CCNCc1ccc(cn1)Br 34a_100015188789_200009817547 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.1 O=CCNCc1ccc(cn1)Cl 34a_100000697193_200009817547 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.1 O=CCNCc1ccc(cn1)F 34a_100020620131_200009817547 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.1 O=CCNCc1ccc(nc1)Br 2230a_100009817727_200015260668 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.1 O=CCNCc1ccc(nc1)Br 34a_100009817727_200009817547 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.1 O=CCNCc1ccc(nc1)Cl 2230a_100000735879_200015260668 [0,2,0,0,0,0|2,0,0]=4 4256 B12R1.1 O=CCNCc1ccc(nc1)Cl 34a_100000735879_200009817547 [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.1 O=CCNCc1ccc(nc1)F 2230a_100000101913_200015260668 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.1 O=CCNCc1ccc(nc1)F 34a_100000101913_200009817547 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.1 O=CCNCc1ccc(nc1)O 2230a_100000757128_200015260668 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 34a_100000031831_200009817547 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.1 O=CCOCc1cc[n+](cc1)[O-] 7a_100000031831_200015260668 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.1 O=CCOCc1ccc(=O)[nH]c1 34a_100011999846_200009817547 [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|1,0,0]=3 4264 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|1,0,0]=3 4265 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|1,0,0]=3 4266 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|1,0,0]=3 4267 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|1,0,0]=3 4268 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|1,0,0]=3 4269 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|1,0,0]=3 4270 B12R1.1 O=CCOCc1ccc(cn1)Br 34a_100000754261_200009817547 [0,2,0,0,0,0|2,0,0]=4 4271 B12R1.1 O=CCOCc1ccc(cn1)Cl 34a_100000703999_200009817547 [0,2,0,0,0,0|2,0,0]=4 4272 B12R1.1 O=CCOCc1ccc(cn1)F 34a_100011999454_200009817547 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.1 O=CCOCc1ccc(nc1)Br 34a_100009816760_200009817547 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.1 O=CCOCc1ccc(nc1)Br 7a_100009816760_200015260668 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.1 O=CCOCc1ccc(nc1)Cl 34a_100000755211_200009817547 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.1 O=CCOCc1ccc(nc1)Cl 7a_100000755211_200015260668 [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.1 O=CCOCc1ccc(nc1)F 34a_100000079959_200009817547 [0,2,0,0,0,0|2,0,0]=4 4278 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|1,0,0]=3 4279 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|1,0,0]=3 4281 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|1,0,0]=3 4282 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|1,0,0]=3 4283 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|1,0,0]=3 4284 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|1,0,0]=3 4285 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|1,0,0]=3 4286 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_100000702658_200015260668 [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.1 O=CCSCc1ccc(cn1)Br 62a_200015260668_100000702658 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_100012066911_200015260668 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.1 O=CCSCc1ccc(cn1)Cl 62a_200015260668_100000697101 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.1 O=CCSCc1ccc(cn1)F 62a_100000703193_200015260668 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.1 O=CCSCc1ccc(cn1)F 62a_200015260668_100000703193 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_100009831999_200015260668 [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.1 O=CCSCc1ccc(nc1)Br 62a_200015260668_100009831999 [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_100000735431_200015260668 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.1 O=CCSCc1ccc(nc1)Cl 62a_200015260668_100000735431 [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.1 O=CCSCc1ccc(nc1)F 62a_100009820150_200015260668 [0,2,0,0,0,0|2,0,0]=4 4297 B12R1.1 O=CCSCc1ccc(nc1)F 62a_200015260668_100000099788 [0,2,0,0,0,0|2,0,0]=4 4298 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [0,2,0,0,0,0|1,0,1]=4 4300 B12R1.16 C#CCN(C)c1ccc(cc1)C 2230a_100000219977_100000038162 [0,2,0,0,0,0|1,0,1]=4 4301 B12R1.16 C#CCN(C)c1ccc(cc1)C 34a_100000219977_100000184674 [0,2,0,0,0,0|1,0,1]=4 4302 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,2,0,0,0,0|1,0,0]=3 4304 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,2,0,0,0,0|2,0,0]=4 4305 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,2,0,0,0,0|2,0,0]=4 4306 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4313 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,2,0,0,0,0|1,0,1]=4 4327 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,2,0,0,0,0|1,0,1]=4 4328 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,2,0,0,0,0|1,0,1]=4 4329 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,2,0,0,0,0|1,0,1]=4 4330 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,2,0,0,0,0|1,0,1]=4 4331 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,2,0,0,0,0|1,0,1]=4 4332 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 4333 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,2,0,0,0,0|1,0,1]=4 4334 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,2,0,0,0,0|1,0,1]=4 4335 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,2,0,0,0,0|1,0,1]=4 4336 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,2,0,0,0,0|1,0,1]=4 4337 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,2,0,0,0,0|1,0,1]=4 4338 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,2,0,0,0,0|1,0,1]=4 4339 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,2,0,0,0,0|1,0,0]=3 4340 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,2,0,0,0,0|1,0,0]=3 4341 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,2,0,0,0,0|1,0,0]=3 4342 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,2,0,0,0,0|1,0,0]=3 4343 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,2,0,0,0,0|1,0,0]=3 4344 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,2,0,0,0,0|1,0,0]=3 4345 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,2,0,0,0,0|1,0,0]=3 4346 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,2,0,0,0,0|1,0,0]=3 4347 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,2,0,0,0,0|1,0,0]=3 4348 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,2,0,0,0,0|1,0,0]=3 4349 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,2,0,0,0,0|1,0,0]=3 4350 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,2,0,0,0,0|1,0,0]=3 4351 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,2,0,0,0,0|1,0,0]=3 4352 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,2,0,0,0,0|1,0,0]=3 4353 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|2,0,0]=4 4355 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,2,0,0,0,0|1,0,1]=4 4357 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,2,0,0,0,0|1,0,1]=4 4358 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.16 COCN(C)c1ccc(cc1)C 2230a_100000219977_100000766300 [0,2,0,0,0,0|2,0,0]=4 4360 B12R1.16 COCN(C)c1ccc(cc1)C 269982a_100000219977_100000766300 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 4362 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.16 CSCN(C)c1ccc(cc1)C 2230a_100000219977_100011218213 [0,2,0,0,0,0|2,0,0]=4 4365 B12R1.16 CSCN(C)c1ccc(cc1)C 269982a_100000219977_100011218213 [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.16 CSCN(C)c1ccc(cc1)C 34a_100000219977_100011218213 [0,2,0,0,0,0|2,0,0]=4 4367 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,2,0,0,0,0|1,0,1]=4 4368 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,2,0,0,0,0|1,0,1]=4 4369 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,2,0,0,0,0|0,0,2]=4 4370 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100011261388_100015361967 [0,2,0,0,0,0|1,0,1]=4 4373 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100015361967_100011261388 [0,2,0,0,0,0|1,0,1]=4 4374 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,2,0,0,0,0|1,0,1]=4 4375 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,2,0,0,0,0|1,0,1]=4 4376 B12R1.16 Cc1ccc(cc1)N(C)CC#N 2230a_100000219977_100011215382 [0,2,0,0,0,0|1,0,1]=4 4377 B12R1.16 Cc1ccc(cc1)N(C)CC#N 269982a_100000219977_100011214920 [0,2,0,0,0,0|1,0,1]=4 4378 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,2,0,0,0,0|0,0,0]=2 4379 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,2,0,0,0,0|0,0,0]=2 4380 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,2,0,0,0,0|0,0,0]=2 4381 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4382 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4383 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,2,0,0,0,0|1,0,1]=4 4384 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,2,0,0,0,0|0,0,2]=4 4385 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,2,0,0,0,0|0,0,2]=4 4386 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,2,0,0,0,0|0,0,2]=4 4387 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,2,0,0,0,0|1,0,1]=4 4388 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,2,0,0,0,0|1,0,1]=4 4389 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 4391 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,2,0,0,0,0|1,0,0]=3 4394 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,2,0,0,0,0|1,0,0]=3 4402 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,2,0,0,0,0|1,0,0]=3 4403 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,2,0,0,0,0|1,0,0]=3 4415 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,2,0,0,0,0|1,0,0]=3 4416 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100000748629_100000754016 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.21 C=C(C)CSc1ccc(cn1)C 62a_100011192072_100000211660 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000748629_100000751577 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.21 C=C(C)CSc1ccc(nc1)C 62a_100000751577_100000211660 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,2,0,0,0,0|1,0,0]=3 4438 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,2,0,0,0,0|1,0,0]=3 4439 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.21 C=C(F)COc1ccc(cn1)C 34a_100000759353_100009893438 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.21 C=C(F)COc1ccc(nc1)C 34a_100000745506_100009893438 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.21 C=C(F)COc1ccc(nc1)C 7a_100000745506_100000042424 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,2,0,0,0,0|1,0,0]=3 4451 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,2,0,0,0,0|1,0,0]=3 4452 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,2,0,0,0,0|2,0,0]=4 4455 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100000042424_100000754016 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.21 C=C(F)CSc1ccc(cn1)C 62a_100011192072_100000042424 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000042424_100000751577 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.21 C=C(F)CSc1ccc(nc1)C 62a_100000751577_100000042424 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,2,0,0,0,0|1,0,1]=4 4464 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,2,0,0,0,0|1,0,1]=4 4465 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,2,0,0,0,0|1,0,1]=4 4466 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,2,0,0,0,0|1,0,1]=4 4467 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,2,0,0,0,0|1,0,1]=4 4468 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,2,0,0,0,0|0,0,1]=3 4469 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4470 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,2,0,0,0,0|1,0,1]=4 4471 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,2,0,0,0,0|1,0,1]=4 4472 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|1,0,0]=3 4473 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|1,0,0]=3 4474 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|0,0,0]=2 4475 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|0,0,0]=2 4476 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|1,0,0]=3 4477 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|1,0,0]=3 4478 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|1,0,0]=3 4479 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|1,0,0]=3 4480 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|1,0,0]=3 4481 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|1,0,0]=3 4482 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|1,0,0]=3 4483 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|1,0,0]=3 4484 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,2,0,0,0,0|1,0,0]=3 4485 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,2,0,0,0,0|0,0,0]=2 4486 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,2,0,0,0,0|1,0,0]=3 4487 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,2,0,0,0,0|1,0,0]=3 4488 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,2,0,0,0,0|0,0,0]=2 4492 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,2,0,0,0,0|1,0,0]=3 4493 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,2,0,0,0,0|1,0,0]=3 4496 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,2,0,0,0,0|1,0,0]=3 4497 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,2,0,0,0,0|1,0,0]=3 4498 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,2,0,0,0,0|0,0,0]=2 4499 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,2,0,0,0,0|0,0,0]=2 4500 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,2,0,0,0,0|0,0,0]=2 4501 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,2,0,0,0,0|0,0,0]=2 4502 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,2,0,0,0,0|1,0,0]=3 4503 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,2,0,0,0,0|1,0,0]=3 4504 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,2,0,0,0,0|1,0,0]=3 4505 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,2,0,0,0,0|1,0,0]=3 4506 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,2,0,0,0,0|1,0,0]=3 4507 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,2,0,0,0,0|1,0,0]=3 4508 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,2,0,0,0,0|1,0,0]=3 4509 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,2,0,0,0,0|1,0,0]=3 4510 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,2,0,0,0,0|1,0,0]=3 4511 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,2,0,0,0,0|1,0,0]=3 4512 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,2,0,0,0,0|1,0,0]=3 4513 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,2,0,0,0,0|1,0,0]=3 4514 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,2,0,0,0,0|1,0,0]=3 4515 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,2,0,0,0,0|2,0,0]=4 4521 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,2,0,0,0,0|1,0,0]=3 4523 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,2,0,0,0,0|2,0,0]=4 4532 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,2,0,0,0,0|1,0,0]=3 4538 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,2,0,0,0,0|1,0,0]=3 4540 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,2,0,0,0,0|1,0,0]=3 4541 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,2,0,0,0,0|2,0,0]=4 4550 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.21 CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000070787 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.21 CC(=O)NNc1ccc(nc1)C 22a_100020639869_100000070787 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,2,0,0,0,0|0,0,1]=3 4563 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [0,2,0,0,0,0|1,0,1]=4 4564 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [0,2,0,0,0,0|0,0,2]=4 4565 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|0,0,0]=2 4566 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [0,2,0,0,0,0|1,0,1]=4 4567 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [0,2,0,0,0,0|1,0,1]=4 4568 B12R1.21 Cc1ccc(cc1)CNC(C)C 207a_100138425928_100000211033 [0,2,0,0,0,0|1,0,1]=4 4569 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100000174908_100000210206 [0,2,0,0,0,0|1,0,1]=4 4570 B12R1.21 Cc1ccc(cc1)CNC(C)C 2230a_100138425928_100000210814 [0,2,0,0,0,0|1,0,1]=4 4571 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100000174908_100000210206 [0,2,0,0,0,0|1,0,1]=4 4572 B12R1.21 Cc1ccc(cc1)CNC(C)C 34a_100138425928_100000210814 [0,2,0,0,0,0|1,0,1]=4 4573 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100000212225_100000210814 [0,2,0,0,0,0|1,0,1]=4 4574 B12R1.21 Cc1ccc(cc1)COC(C)C 34a_100011215236_100000210206 [0,2,0,0,0,0|1,0,1]=4 4575 B12R1.21 Cc1ccc(cc1)COC(C)C 7a_100011215236_100000210206 [0,2,0,0,0,0|1,0,1]=4 4576 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210206_100000210814 [0,2,0,0,0,0|1,0,1]=4 4577 B12R1.21 Cc1ccc(cc1)CSC(C)C 62a_100000210814_100000210206 [0,2,0,0,0,0|1,0,1]=4 4578 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|0,0,0]=2 4579 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,2,0,0,0,0|0,0,0]=2 4580 B12R1.21 Cc1ccc(cc1)NCC(C)C 34a_100000124888_100000210624 [0,2,0,0,0,0|1,0,1]=4 4581 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,2,0,0,0,0|0,0,2]=4 4582 B12R1.21 Cc1ccc(cc1)NCC(F)F 34a_100000124888_100011934356 [0,2,0,0,0,0|1,0,1]=4 4583 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,2,0,0,0,0|0,0,2]=4 4584 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|0,0,0]=2 4586 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|0,0,0]=2 4587 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,2,0,0,0,0|0,0,0]=2 4588 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,2,0,0,0,0|0,0,0]=2 4589 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,2,0,0,0,0|1,0,1]=4 4590 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,2,0,0,0,0|1,0,1]=4 4591 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,2,0,0,0,0|0,0,2]=4 4592 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,2,0,0,0,0|0,0,2]=4 4593 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,2,0,0,0,0|1,0,1]=4 4594 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,2,0,0,0,0|1,0,1]=4 4595 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,2,0,0,0,0|0,0,2]=4 4596 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,2,0,0,0,0|0,0,2]=4 4597 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|0,0,0]=2 4599 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|0,0,0]=2 4600 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,2,0,0,0,0|0,0,0]=2 4601 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,2,0,0,0,0|0,0,0]=2 4602 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,2,0,0,0,0|0,0,0]=2 4603 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000186775_100000210760 [0,2,0,0,0,0|1,0,1]=4 4604 B12R1.21 Cc1ccc(cc1)SCC(C)C 62a_100000210624_100000186775 [0,2,0,0,0,0|1,0,1]=4 4605 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,2,0,0,0,0|0,0,2]=4 4606 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,2,0,0,0,0|0,0,2]=4 4607 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100000186775_100011934356 [0,2,0,0,0,0|1,0,1]=4 4608 B12R1.21 Cc1ccc(cc1)SCC(F)F 62a_100011934356_100000186775 [0,2,0,0,0,0|1,0,1]=4 4609 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,2,0,0,0,0|0,0,2]=4 4610 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,2,0,0,0,0|0,0,2]=4 4611 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000186775_100000761209 [0,2,0,0,0,0|1,0,0]=3 4612 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,2,0,0,0,0|1,0,0]=3 4613 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,2,0,0,0,0|1,0,0]=3 4614 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,2,0,0,0,0|1,0,0]=3 4615 B12R1.21 Cc1ccc(cn1)OC[N+](=O)[O-] 34a_100000745506_100000761209 [0,2,0,0,0,0|2,0,0]=4 4616 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000747473_100000751577 [0,2,0,0,0,0|1,0,0]=3 4617 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000751577_100000747473 [0,2,0,0,0,0|1,0,0]=3 4618 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100000751577_100020667443 [0,2,0,0,0,0|1,0,0]=3 4619 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000751577 [0,2,0,0,0,0|1,0,0]=3 4620 B12R1.21 Cc1ccc(cn1)SC[N+](=O)[O-] 62a_100000751577_100000761209 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,2,0,0,0,0|1,0,0]=3 4622 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,2,0,0,0,0|1,0,0]=3 4623 B12R1.21 Cc1ccc(nc1)OC[N+](=O)[O-] 34a_100000759353_100000761209 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100000747473_100000754016 [0,2,0,0,0,0|1,0,0]=3 4625 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100011192072_100000747473 [0,2,0,0,0,0|1,0,0]=3 4626 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100011192072_100020667443 [0,2,0,0,0,0|1,0,0]=3 4627 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000754016 [0,2,0,0,0,0|1,0,0]=3 4628 B12R1.21 Cc1ccc(nc1)SC[N+](=O)[O-] 62a_100011192072_100000761209 [0,2,0,0,0,0|2,0,0]=4 4629 B12R1.21 Cc1ccc(nn1)SCC(=O)N 62a_100000744512_100000747473 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.21 Cc1ccc(nn1)SCC(=O)N 62a_100000747473_100000744512 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.21 Cc1ccc(nn1)SCC(=O)[O-] 62a_100000744512_100020667443 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.21 Cc1ccc(nn1)SCC(=O)[O-] 62a_100020667443_100000744512 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.21 Cc1cnc(cn1)SCC(=O)N 62a_100000747473_100011999403 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.21 Cc1cnc(cn1)SCC(=O)N 62a_100011999403_100000747473 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.21 Cc1cnc(cn1)SCC(=O)[O-] 62a_100011999403_100020667443 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.21 Cc1cnc(cn1)SCC(=O)[O-] 62a_100020667443_100011999403 [0,2,0,0,0,0|2,0,0]=4 4637 B12R1.21 Cc1cnc(nc1)SCC(=O)N 62a_100000061069_100000747473 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.21 Cc1cnc(nc1)SCC(=O)N 62a_100000747473_100000061069 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.21 Cc1cnc(nc1)SCC(=O)[O-] 62a_100000061069_100020667443 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.21 Cc1cnc(nc1)SCC(=O)[O-] 62a_100020667443_100000061069 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.21 Cc1ncc(cn1)OCC(=O)N 34a_100000062939_100000187820 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.21 Cc1ncc(cn1)OCC(=O)N 7a_100000062939_100000187820 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.21 Cc1ncc(cn1)OCC(=O)[O-] 34a_100000062939_100020667443 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.21 Cc1ncc(cn1)SCC(=O)N 62a_100000686985_100000747473 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.21 Cc1ncc(cn1)SCC(=O)N 62a_100000747473_100000686985 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.21 Cc1ncc(cn1)SCC(=O)[O-] 62a_100000686985_100020667443 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.21 Cc1ncc(cn1)SCC(=O)[O-] 62a_100020667443_100000686985 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|1,0,0]=3 4649 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|1,0,0]=3 4650 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|1,0,0]=3 4651 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|1,0,0]=3 4655 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,0]=3 4656 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|1,0,0]=3 4658 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|1,0,0]=3 4659 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|1,0,0]=3 4660 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|1,0,0]=3 4661 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|1,0,0]=3 4664 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|1,0,0]=3 4665 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.21 NC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747473_100000039755 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747473 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000747473_100000212171 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|1,0,0]=3 4686 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|1,0,0]=3 4687 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|1,0,0]=3 4689 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|1,0,0]=3 4690 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|1,0,0]=3 4691 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747473 [0,2,0,0,0,0|2,0,0]=4 4692 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000747473_100000686858 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100000747473_100011356976 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747473 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747473 [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000747473_100000744514 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747473 [0,2,0,0,0,0|2,0,0]=4 4698 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000747473_100000737798 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,2,0,0,0,0|2,0,0]=4 4700 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100000747473_100009814638 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747473 [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747473 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000747473_100000034144 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747473 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000747473_100000042367 [0,2,0,0,0,0|2,0,0]=4 4707 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747473 [0,2,0,0,0,0|2,0,0]=4 4708 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000747473_100000187370 [0,2,0,0,0,0|2,0,0]=4 4709 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,0]=3 4710 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,2,0,0,0,0|2,0,0]=4 4711 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,2,0,0,0,0|1,0,0]=3 4712 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.21 Nc1ccc(cc1)SC[N+](=O)[O-] 62a_100000185761_100000761209 [0,2,0,0,0,0|2,0,0]=4 4714 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,2,0,0,0,0|2,0,0]=4 4715 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100000187370_100020667443 [0,2,0,0,0,0|2,0,0]=4 4716 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000187370 [0,2,0,0,0,0|2,0,0]=4 4717 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100000737798_100020667443 [0,2,0,0,0,0|2,0,0]=4 4719 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000737798 [0,2,0,0,0,0|2,0,0]=4 4720 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,2,0,0,0,0|1,0,0]=3 4721 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,2,0,0,0,0|1,0,0]=3 4722 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,2,0,0,0,0|1,0,0]=3 4723 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,2,0,0,0,0|1,0,0]=3 4724 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,2,0,0,0,0|1,0,0]=3 4725 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,2,0,0,0,0|2,0,0]=4 4726 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,2,0,0,0,0|1,0,0]=3 4727 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,2,0,0,0,0|1,0,0]=3 4728 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,2,0,0,0,0|1,0,0]=3 4729 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,2,0,0,0,0|1,0,0]=3 4730 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.21 O=C([O-])CSc1cc[n+](cc1)[O-] 62a_100020667443_100000039755 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100000212171_100020667443 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100020667443_100000212171 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,2,0,0,0,0|1,0,0]=3 4740 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,2,0,0,0,0|1,0,0]=3 4741 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,2,0,0,0,0|1,0,0]=3 4742 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,2,0,0,0,0|1,0,0]=3 4744 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,2,0,0,0,0|1,0,0]=3 4745 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,2,0,0,0,0|1,0,0]=3 4746 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100000686858_100020667443 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100020667443_100000686858 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100011356976_100020667443 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100020667443_100011356976 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100000744514_100020667443 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100020667443_100000744514 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100009814638_100020667443 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100020667443_100009814638 [0,2,0,0,0,0|2,0,0]=4 4756 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100000034144_100020667443 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100020667443_100000034144 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100000042367_100020667443 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100020667443_100000042367 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 34a_100000210018_100000761209 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 34a_100000185862_100000761209 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Br 62a_100000752885_100000761209 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)F 62a_100000211213_100000761209 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,2,0,0,0,0|1,0,1]=4 4773 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,2,0,0,0,0|1,0,1]=4 4774 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,2,0,0,0,0|1,0,1]=4 4775 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,2,0,0,0,0|1,0,1]=4 4776 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4777 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,2,0,0,0,0|1,0,1]=4 4778 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,2,0,0,0,0|1,0,1]=4 4779 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|1,0,0]=3 4780 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|1,0,0]=3 4781 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|1,0,0]=3 4782 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|1,0,0]=3 4783 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|1,0,0]=3 4784 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,2,0,0,0,0|1,0,0]=3 4785 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,2,0,0,0,0|1,0,0]=3 4786 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,2,0,0,0,0|1,0,0]=3 4787 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,2,0,0,0,0|1,0,0]=3 4788 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,2,0,0,0,0|1,0,0]=3 4789 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,2,0,0,0,0|1,0,0]=3 4790 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,2,0,0,0,0|1,0,0]=3 4791 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,2,0,0,0,0|1,0,0]=3 4792 B12R1.49 C#CC(=O)Cc1ccc(cc1)Br 1458a_100000211873_100000189115 [0,2,0,0,0,0|1,0,0]=3 4793 B12R1.49 C#CC(=O)Cc1ccc(cc1)C 1458a_100000211873_100000210814 [0,2,0,0,0,0|0,0,0]=2 4794 B12R1.49 C#CC(=O)Cc1ccc(cc1)Cl 1458a_100000211873_100000694040 [0,2,0,0,0,0|1,0,0]=3 4795 B12R1.49 C#CC(=O)Cc1ccc(cc1)F 1458a_100000211873_100000198546 [0,2,0,0,0,0|1,0,0]=3 4796 B12R1.49 C#CC(=O)Cc1ccc(cc1)I 1458a_100000211873_100000189116 [0,2,0,0,0,0|1,0,0]=3 4797 B12R1.49 C#CC(=O)Cc1ccc(cn1)Br 1458a_100000211873_100000702658 [0,2,0,0,0,0|2,0,0]=4 4798 B12R1.49 C#CC(=O)Cc1ccc(cn1)C 1458a_100000211873_100000691093 [0,2,0,0,0,0|1,0,0]=3 4799 B12R1.49 C#CC(=O)Cc1ccc(cn1)Cl 1458a_100000211873_100012066911 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.49 C#CC(=O)Cc1ccc(cn1)F 1458a_100000211873_100000703193 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.49 C#CC(=O)Cc1ccc(nc1)Br 1458a_100000211873_100009831999 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.49 C#CC(=O)Cc1ccc(nc1)C 1458a_100000211873_100016987292 [0,2,0,0,0,0|1,0,0]=3 4803 B12R1.49 C#CC(=O)Cc1ccc(nc1)Cl 1458a_100000211873_100000735431 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.49 C#CC(=O)Cc1ccc(nc1)F 1458a_100000211873_100009820150 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.49 C#CC(=O)Cc1cnc(cn1)C 1458a_100000211873_100000752025 [0,2,0,0,0,0|2,0,0]=4 4806 B12R1.49 C#CC(=O)Cc1ncc(cn1)C 1458a_100000211873_100000685645 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [0,2,0,0,0,0|1,0,1]=4 4808 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,2,0,0,0,0|1,0,1]=4 4809 B12R1.49 C#CC(C)Sc1ccc(cc1)C 62a_200000035995_100000186775 [0,2,0,0,0,0|1,0,1]=4 4810 B12R1.49 C=CC(=O)Cc1ccc(cc1)Br 1458a_100000185746_100000189115 [0,2,0,0,0,0|1,0,0]=3 4811 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,2,0,0,0,0|0,0,0]=2 4812 B12R1.49 C=CC(=O)Cc1ccc(cc1)Cl 1458a_100000185746_100000694040 [0,2,0,0,0,0|1,0,0]=3 4813 B12R1.49 C=CC(=O)Cc1ccc(cc1)F 1458a_100000185746_100000198546 [0,2,0,0,0,0|1,0,0]=3 4814 B12R1.49 C=CC(=O)Cc1ccc(cc1)I 1458a_100000185746_100000189116 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.49 C=CC(=O)Cc1ccc(cn1)Br 1458a_100000185746_100000702658 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.49 C=CC(=O)Cc1ccc(cn1)C 1458a_100000185746_100000691093 [0,2,0,0,0,0|1,0,0]=3 4817 B12R1.49 C=CC(=O)Cc1ccc(cn1)Cl 1458a_100000185746_100012066911 [0,2,0,0,0,0|2,0,0]=4 4818 B12R1.49 C=CC(=O)Cc1ccc(cn1)F 1458a_100000185746_100000703193 [0,2,0,0,0,0|2,0,0]=4 4819 B12R1.49 C=CC(=O)Cc1ccc(nc1)Br 1458a_100000185746_100009831999 [0,2,0,0,0,0|2,0,0]=4 4820 B12R1.49 C=CC(=O)Cc1ccc(nc1)C 1458a_100000185746_100016987292 [0,2,0,0,0,0|1,0,0]=3 4821 B12R1.49 C=CC(=O)Cc1ccc(nc1)Cl 1458a_100000185746_100000735431 [0,2,0,0,0,0|2,0,0]=4 4822 B12R1.49 C=CC(=O)Cc1ccc(nc1)F 1458a_100000185746_100009820150 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.49 C=CC(=O)Cc1cnc(cn1)C 1458a_100000185746_100000752025 [0,2,0,0,0,0|2,0,0]=4 4824 B12R1.49 C=CC(=O)Cc1ncc(cn1)C 1458a_100000185746_100000685645 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185746 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.49 C=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185746 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,2,0,0,0,0|1,0,0]=3 4828 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,2,0,0,0,0|1,0,0]=3 4829 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185746 [0,2,0,0,0,0|2,0,0]=4 4830 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185746 [0,2,0,0,0,0|2,0,0]=4 4831 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185746 [0,2,0,0,0,0|2,0,0]=4 4832 B12R1.49 C=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000185746 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185746 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.49 C=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000185746 [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,2,0,0,0,0|2,0,0]=4 4837 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,2,0,0,0,0|1,0,0]=3 4838 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,2,0,0,0,0|2,0,0]=4 4839 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,2,0,0,0,0|2,0,0]=4 4840 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.49 C=CC(C)Sc1ccc(nc1)C 62a_100011215867_100000751577 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,2,0,0,0,0|1,0,0]=3 4845 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,2,0,0,0,0|1,0,0]=3 4846 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,2,0,0,0,0|0,0,0]=2 4847 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,2,0,0,0,0|0,0,0]=2 4848 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,2,0,0,0,0|1,0,0]=3 4849 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,2,0,0,0,0|1,0,0]=3 4850 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,2,0,0,0,0|1,0,0]=3 4854 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,2,0,0,0,0|1,0,0]=3 4855 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100000210414_100000702658 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.49 CCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210202 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,2,0,0,0,0|1,0,0]=3 4858 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000210414_100012066911 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.49 CCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210202 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.49 CCC(=O)Cc1ccc(cn1)F 1458a_100000210414_100000703193 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100000210414_100009831999 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.49 CCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210202 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000210414_100016987292 [0,2,0,0,0,0|1,0,0]=3 4865 B12R1.49 CCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210202 [0,2,0,0,0,0|1,0,0]=3 4866 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210202 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.49 CCC(=O)Cc1ccc(nc1)Cl 1458a_100000210414_100000735431 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.49 CCC(=O)Cc1ccc(nc1)F 1458a_100000210414_100009820150 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.49 CCC(=O)Cc1cnc(cn1)C 1458a_100000210414_100000752025 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.49 CCC(=O)Cc1ncc(cn1)C 1458a_100000210414_100000685645 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.49 CCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210202 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4878 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4879 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,2,0,0,0,0|1,0,0]=3 4880 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 4882 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,2,0,0,0,0|2,0,0]=4 4884 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,2,0,0,0,0|2,0,0]=4 4888 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 4889 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 4890 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 4891 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,2,0,0,0,0|2,0,0]=4 4892 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,2,0,0,0,0|2,0,0]=4 4893 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,2,0,0,0,0|2,0,0]=4 4894 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,2,0,0,0,0|1,0,1]=4 4895 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,2,0,0,0,0|1,0,1]=4 4896 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,2,0,0,0,0|1,0,1]=4 4897 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,2,0,0,0,0|1,0,1]=4 4898 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,2,0,0,0,0|1,0,1]=4 4899 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,2,0,0,0,0|1,0,1]=4 4900 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,2,0,0,0,0|1,0,1]=4 4901 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,2,0,0,0,0|1,0,1]=4 4902 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,2,0,0,0,0|1,0,1]=4 4903 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,2,0,0,0,0|1,0,1]=4 4904 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,2,0,0,0,0|1,0,1]=4 4905 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,2,0,0,0,0|1,0,1]=4 4906 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,2,0,0,0,0|1,0,1]=4 4907 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,2,0,0,0,0|1,0,1]=4 4908 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,2,0,0,0,0|1,0,1]=4 4909 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,0]=3 4910 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,0]=3 4911 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,0]=3 4912 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|0,0,0]=2 4913 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|0,0,0]=2 4914 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|0,0,0]=2 4915 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,0]=3 4916 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,0]=3 4917 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,0]=3 4918 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,0]=3 4919 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 4920 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 4921 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,0]=3 4922 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,0]=3 4923 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 4924 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 4925 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,0]=3 4926 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 4927 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 4928 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|1,0,0]=3 4929 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|1,0,0]=3 4930 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,2,0,0,0,0|1,0,0]=3 4933 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,2,0,0,0,0|1,0,0]=3 4934 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,2,0,0,0,0|1,0,0]=3 4935 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,2,0,0,0,0|2,0,0]=4 4939 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,2,0,0,0,0|1,0,0]=3 4943 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,2,0,0,0,0|1,0,0]=3 4944 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,2,0,0,0,0|1,0,0]=3 4945 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,2,0,0,0,0|2,0,0]=4 4947 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 4949 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,2,0,0,0,0|2,0,0]=4 4950 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,2,0,0,0,0|1,0,0]=3 4956 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,2,0,0,0,0|2,0,0]=4 4960 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,2,0,0,0,0|1,0,1]=4 4961 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,2,0,0,0,0|1,0,0]=3 4962 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,2,0,0,0,0|2,0,0]=4 4967 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,2,0,0,0,0|0,0,0]=2 4968 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,2,0,0,0,0|0,0,0]=2 4969 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,2,0,0,0,0|1,0,1]=4 4970 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,2,0,0,0,0|1,0,1]=4 4971 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,2,0,0,0,0|1,0,0]=3 4972 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,2,0,0,0,0|1,0,0]=3 4973 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,2,0,0,0,0|0,0,2]=4 4974 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,2,0,0,0,0|1,0,1]=4 4975 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,2,0,0,0,0|0,0,2]=4 4976 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,2,0,0,0,0|0,0,2]=4 4977 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000186775_100000703298 [0,2,0,0,0,0|1,0,1]=4 4978 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000186775 [0,2,0,0,0,0|1,0,1]=4 4979 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,2,0,0,0,0|0,0,2]=4 4980 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_100000186775_200000117898 [0,2,0,0,0,0|1,0,1]=4 4981 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_200000117898_100000186775 [0,2,0,0,0,0|1,0,1]=4 4982 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,2,0,0,0,0|0,0,2]=4 4983 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,2,0,0,0,0|0,0,2]=4 4984 B12R1.49 Cc1ccc(cn1)CC(=O)CF 1458a_100000740413_100015361967 [0,2,0,0,0,0|1,0,0]=3 4985 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,2,0,0,0,0|1,0,0]=3 4986 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,2,0,0,0,0|1,0,0]=3 4987 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,2,0,0,0,0|1,0,0]=3 4988 B12R1.49 Cc1cnc(cn1)CC(=O)CO 1458a_100000210174_100000752025 [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.49 Cc1cnc(nc1)CC(=O)CO 1458a_100000210174_100000685645 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,2,0,0,0,0|1,0,0]=3 4991 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,2,0,0,0,0|1,0,0]=3 4992 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,2,0,0,0,0|1,0,0]=3 4993 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,2,0,0,0,0|1,0,0]=3 4994 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,2,0,0,0,0|1,0,0]=3 4995 B12R1.49 O=C(CF)Cc1ccc(cn1)Br 1458a_100020629044_100015361967 [0,2,0,0,0,0|2,0,0]=4 4996 B12R1.49 O=C(CF)Cc1ccc(cn1)Cl 1458a_100000728320_100015361967 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.49 O=C(CF)Cc1ccc(nc1)Br 1458a_100010067268_100015361967 [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.49 O=C(CF)Cc1ccc(nc1)Cl 1458a_100000061944_100015361967 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.49 O=C(CF)Cn1ccc(=O)cc1 1458a_200000238563_100015361967 [0,2,0,0,0,0|2,0,0]=4 5000 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,2,0,0,0,0|1,0,0]=3 5001 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,2,0,0,0,0|1,0,0]=3 5002 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,2,0,0,0,0|1,0,0]=3 5003 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,2,0,0,0,0|1,0,0]=3 5004 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,2,0,0,0,0|2,0,0]=4 5006 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,2,0,0,0,0|2,0,0]=4 5007 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,2,0,0,0,0|2,0,0]=4 5010 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,2,0,0,0,0|2,0,0]=4 5012 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,2,0,0,0,0|2,0,0]=4 5013 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,2,0,0,0,0|2,0,0]=4 5014 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,2,0,0,0,0|2,0,0]=4 5015 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,2,0,0,0,0|2,0,0]=4 5016 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,2,0,0,0,0|2,0,0]=4 5017 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,2,0,0,0,0|2,0,0]=4 5018 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,2,0,0,0,0|2,0,0]=4 5019 B12R1.69 C#CCNc1ccc(cc1Br)C 34a_100000210942_100000184674 [0,2,0,0,0,0|1,0,1]=4 5020 B12R1.69 C#CCNc1ccc(cc1C)C 34a_100000736561_100000184674 [0,2,0,0,0,0|1,0,1]=4 5021 B12R1.69 C#CCNc1ccc(cc1C)C 7a_100000736561_100000038162 [0,2,0,0,0,0|1,0,1]=4 5022 B12R1.69 C#CCNc1ccc(cc1Cl)C 34a_100000210522_100000184674 [0,2,0,0,0,0|1,0,1]=4 5023 B12R1.69 C#CCNc1ccc(cc1F)C 34a_100000211023_100000184674 [0,2,0,0,0,0|1,0,1]=4 5024 B12R1.69 C#CCNc1ccc(cc1I)C 34a_100011356834_100000184674 [0,2,0,0,0,0|1,0,1]=4 5025 B12R1.69 C#CCNc1ccc(cc1O)C 34a_100000211527_100000184674 [0,2,0,0,0,0|1,0,1]=4 5026 B12R1.69 C#CCOc1ccc(cc1Br)C 34a_100000210800_100000184674 [0,2,0,0,0,0|1,0,1]=4 5027 B12R1.69 C#CCOc1ccc(cc1Br)C 7a_100000210800_100000038162 [0,2,0,0,0,0|1,0,1]=4 5028 B12R1.69 C#CCOc1ccc(cc1C)C 34a_100000211776_100000184674 [0,2,0,0,0,0|1,0,1]=4 5029 B12R1.69 C#CCOc1ccc(cc1C)C 7a_100000211776_100000038162 [0,2,0,0,0,0|1,0,1]=4 5030 B12R1.69 C#CCOc1ccc(cc1Cl)C 34a_100000749699_100000184674 [0,2,0,0,0,0|1,0,1]=4 5031 B12R1.69 C#CCOc1ccc(cc1Cl)C 7a_100000749699_100000038162 [0,2,0,0,0,0|1,0,1]=4 5032 B12R1.69 C#CCOc1ccc(cc1F)C 34a_100011216688_100000184674 [0,2,0,0,0,0|1,0,1]=4 5033 B12R1.69 C#CCOc1ccc(cc1F)C 7a_100011216688_100000038162 [0,2,0,0,0,0|1,0,1]=4 5034 B12R1.69 C#CCOc1ccc(cc1I)C 34a_100000765521_100000184674 [0,2,0,0,0,0|1,0,1]=4 5035 B12R1.69 C#CCOc1ccc(cc1I)C 7a_100000765521_100000038162 [0,2,0,0,0,0|1,0,1]=4 5036 B12R1.69 C#CCOc1ccc(cc1N)C 34a_100011215204_100000184674 [0,2,0,0,0,0|1,0,1]=4 5037 B12R1.69 C#CCOc1ccc(cc1N)C 7a_100011215204_100000038162 [0,2,0,0,0,0|1,0,1]=4 5038 B12R1.69 C#CCSc1ccc(cc1Br)C 62a_100000038162_100009813563 [0,2,0,0,0,0|1,0,1]=4 5039 B12R1.69 C#CCSc1ccc(cc1C)C 62a_100000038162_100011217332 [0,2,0,0,0,0|1,0,1]=4 5040 B12R1.69 C#CCSc1ccc(cc1Cl)C 62a_100000038162_100011263221 [0,2,0,0,0,0|1,0,1]=4 5041 B12R1.69 C#CCSc1ccc(cc1F)C 62a_100000038162_100011216119 [0,2,0,0,0,0|1,0,1]=4 5042 B12R1.69 C#CCSc1ccc(cc1N)C 62a_100000038162_100011216686 [0,2,0,0,0,0|1,0,1]=4 5043 B12R1.69 C#CCSc1ccc(cc1O)C 62a_100000038162_100012002257 [0,2,0,0,0,0|1,0,1]=4 5044 B12R1.69 C=CCNc1ccc(cc1Br)Br 34a_100000211012_100015514636 [0,2,0,0,0,0|2,0,0]=4 5045 B12R1.69 C=CCNc1ccc(cc1Br)C 34a_100000210942_100015514636 [0,2,0,0,0,0|1,0,0]=3 5046 B12R1.69 C=CCNc1ccc(cc1Br)Cl 34a_100000752454_100015514636 [0,2,0,0,0,0|2,0,0]=4 5047 B12R1.69 C=CCNc1ccc(cc1Br)F 34a_100000738039_100015514636 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.69 C=CCNc1ccc(cc1Br)O 34a_100012001276_100015514636 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.69 C=CCNc1ccc(cc1C)Br 34a_100000211769_100015514636 [0,2,0,0,0,0|2,0,0]=4 5050 B12R1.69 C=CCNc1ccc(cc1C)Br 7a_100000211769_100015514636 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.69 C=CCNc1ccc(cc1C)C 34a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.69 C=CCNc1ccc(cc1C)C 7a_100000736561_100015514636 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.69 C=CCNc1ccc(cc1C)Cl 34a_100000210418_100015514636 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.69 C=CCNc1ccc(cc1C)Cl 7a_100000210418_100015514636 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.69 C=CCNc1ccc(cc1C)F 34a_100000211637_100015514636 [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.69 C=CCNc1ccc(cc1C)F 7a_100000211637_100015514636 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.69 C=CCNc1ccc(cc1C)I 34a_100000184554_100015514636 [0,2,0,0,0,0|2,0,0]=4 5058 B12R1.69 C=CCNc1ccc(cc1C)I 7a_100000184554_100015514636 [0,2,0,0,0,0|2,0,0]=4 5059 B12R1.69 C=CCNc1ccc(cc1C)O 34a_100000756630_100015514636 [0,2,0,0,0,0|2,0,0]=4 5060 B12R1.69 C=CCNc1ccc(cc1Cl)Br 34a_100000211467_100015514636 [0,2,0,0,0,0|2,0,0]=4 5061 B12R1.69 C=CCNc1ccc(cc1Cl)C 34a_100000210522_100015514636 [0,2,0,0,0,0|1,0,0]=3 5062 B12R1.69 C=CCNc1ccc(cc1Cl)Cl 34a_100000185861_100015514636 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.69 C=CCNc1ccc(cc1Cl)F 34a_100000212003_100015514636 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.69 C=CCNc1ccc(cc1Cl)I 34a_100011218065_100015514636 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.69 C=CCNc1ccc(cc1Cl)O 34a_100011215599_100015514636 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.69 C=CCNc1ccc(cc1F)Br 34a_100000210722_100015514636 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.69 C=CCNc1ccc(cc1F)C 34a_100000211023_100015514636 [0,2,0,0,0,0|1,0,0]=3 5068 B12R1.69 C=CCNc1ccc(cc1F)Cl 34a_100000211020_100015514636 [0,2,0,0,0,0|2,0,0]=4 5069 B12R1.69 C=CCNc1ccc(cc1F)F 34a_100000210720_100015514636 [0,2,0,0,0,0|2,0,0]=4 5070 B12R1.69 C=CCNc1ccc(cc1F)I 34a_100011215594_100015514636 [0,2,0,0,0,0|2,0,0]=4 5071 B12R1.69 C=CCNc1ccc(cc1F)O 34a_100000759473_100015514636 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.69 C=CCNc1ccc(cc1I)Br 34a_100000187925_100015514636 [0,2,0,0,0,0|2,0,0]=4 5073 B12R1.69 C=CCNc1ccc(cc1I)C 34a_100011356834_100015514636 [0,2,0,0,0,0|1,0,0]=3 5074 B12R1.69 C=CCNc1ccc(cc1I)Cl 34a_100000761889_100015514636 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.69 C=CCNc1ccc(cc1I)F 34a_100000760547_100015514636 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.69 C=CCNc1ccc(cc1I)O 34a_100010084370_100015514636 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.69 C=CCNc1ccc(cc1O)Br 34a_100000739049_100015514636 [0,2,0,0,0,0|2,0,0]=4 5078 B12R1.69 C=CCNc1ccc(cc1O)C 34a_100000211527_100015514636 [0,2,0,0,0,0|1,0,0]=3 5079 B12R1.69 C=CCNc1ccc(cc1O)Cl 34a_100000185728_100015514636 [0,2,0,0,0,0|2,0,0]=4 5080 B12R1.69 C=CCNc1ccc(cc1O)F 34a_100000753323_100015514636 [0,2,0,0,0,0|2,0,0]=4 5081 B12R1.69 C=CCNc1ccc(cc1O)O 34a_100000106777_100015514636 [0,2,0,0,0,0|2,0,0]=4 5082 B12R1.69 C=CCOc1ccc(cc1Br)Br 34a_100000188717_100015514636 [0,2,0,0,0,0|2,0,0]=4 5083 B12R1.69 C=CCOc1ccc(cc1Br)Br 7a_100000188717_100015514636 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.69 C=CCOc1ccc(cc1Br)C 34a_100000210800_100015514636 [0,2,0,0,0,0|1,0,0]=3 5085 B12R1.69 C=CCOc1ccc(cc1Br)C 7a_100000210800_100015514636 [0,2,0,0,0,0|1,0,0]=3 5086 B12R1.69 C=CCOc1ccc(cc1Br)Cl 34a_100000211998_100015514636 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.69 C=CCOc1ccc(cc1Br)Cl 7a_100000211998_100015514636 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.69 C=CCOc1ccc(cc1Br)F 34a_100000211999_100015514636 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.69 C=CCOc1ccc(cc1Br)F 7a_100000211999_100015514636 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.69 C=CCOc1ccc(cc1Br)I 34a_100012361655_100015514636 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.69 C=CCOc1ccc(cc1Br)I 7a_100012361655_100015514636 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.69 C=CCOc1ccc(cc1Br)N 34a_100011534360_100015514636 [0,2,0,0,0,0|2,0,0]=4 5093 B12R1.69 C=CCOc1ccc(cc1Br)N 7a_100011534360_100015514636 [0,2,0,0,0,0|2,0,0]=4 5094 B12R1.69 C=CCOc1ccc(cc1C)Br 34a_100000186361_100015514636 [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.69 C=CCOc1ccc(cc1C)Br 7a_100000186361_100015514636 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.69 C=CCOc1ccc(cc1C)C 34a_100000211776_100015514636 [0,2,0,0,0,0|1,0,0]=3 5097 B12R1.69 C=CCOc1ccc(cc1C)C 7a_100000211776_100015514636 [0,2,0,0,0,0|1,0,0]=3 5098 B12R1.69 C=CCOc1ccc(cc1C)Cl 34a_100000211091_100015514636 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.69 C=CCOc1ccc(cc1C)Cl 7a_100000211091_100015514636 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.69 C=CCOc1ccc(cc1C)F 34a_100000764316_100015514636 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.69 C=CCOc1ccc(cc1C)F 7a_100000764316_100015514636 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.69 C=CCOc1ccc(cc1C)I 34a_100011218673_100015514636 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.69 C=CCOc1ccc(cc1C)I 7a_100011218673_100015514636 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.69 C=CCOc1ccc(cc1C)N 34a_100011218179_100015514636 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.69 C=CCOc1ccc(cc1C)N 7a_100011218179_100015514636 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.69 C=CCOc1ccc(cc1Cl)Br 34a_100000186472_100015514636 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.69 C=CCOc1ccc(cc1Cl)Br 7a_100000186472_100015514636 [0,2,0,0,0,0|2,0,0]=4 5108 B12R1.69 C=CCOc1ccc(cc1Cl)C 34a_100000749699_100015514636 [0,2,0,0,0,0|1,0,0]=3 5109 B12R1.69 C=CCOc1ccc(cc1Cl)C 7a_100000749699_100015514636 [0,2,0,0,0,0|1,0,0]=3 5110 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 34a_100015191787_100015514636 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.69 C=CCOc1ccc(cc1Cl)Cl 7a_100015191787_100015514636 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.69 C=CCOc1ccc(cc1Cl)F 34a_100000212004_100015514636 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.69 C=CCOc1ccc(cc1Cl)F 7a_100000212004_100015514636 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.69 C=CCOc1ccc(cc1Cl)I 34a_100012360047_100015514636 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.69 C=CCOc1ccc(cc1Cl)I 7a_100012360047_100015514636 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.69 C=CCOc1ccc(cc1Cl)N 34a_100000744943_100015514636 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.69 C=CCOc1ccc(cc1Cl)N 7a_100000744943_100015514636 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.69 C=CCOc1ccc(cc1F)Br 34a_100000185481_100015514636 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.69 C=CCOc1ccc(cc1F)Br 7a_100000185481_100015514636 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.69 C=CCOc1ccc(cc1F)C 34a_100011216688_100015514636 [0,2,0,0,0,0|1,0,0]=3 5121 B12R1.69 C=CCOc1ccc(cc1F)C 7a_100011216688_100015514636 [0,2,0,0,0,0|1,0,0]=3 5122 B12R1.69 C=CCOc1ccc(cc1F)Cl 34a_100000230166_100015514636 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.69 C=CCOc1ccc(cc1F)Cl 7a_100000230166_100015514636 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.69 C=CCOc1ccc(cc1F)F 34a_100000230127_100015514636 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.69 C=CCOc1ccc(cc1F)F 7a_100000230127_100015514636 [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.69 C=CCOc1ccc(cc1F)I 34a_100011356965_100015514636 [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.69 C=CCOc1ccc(cc1F)I 7a_100011356965_100015514636 [0,2,0,0,0,0|2,0,0]=4 5128 B12R1.69 C=CCOc1ccc(cc1F)N 34a_100011220035_100015514636 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.69 C=CCOc1ccc(cc1F)N 7a_100011220035_100015514636 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.69 C=CCOc1ccc(cc1I)Br 34a_100012355227_100015514636 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.69 C=CCOc1ccc(cc1I)Br 7a_100012355227_100015514636 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.69 C=CCOc1ccc(cc1I)C 34a_100000765521_100015514636 [0,2,0,0,0,0|1,0,0]=3 5133 B12R1.69 C=CCOc1ccc(cc1I)C 7a_100000765521_100015514636 [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.69 C=CCOc1ccc(cc1I)Cl 34a_100011356953_100015514636 [0,2,0,0,0,0|2,0,0]=4 5135 B12R1.69 C=CCOc1ccc(cc1I)Cl 7a_100011356953_100015514636 [0,2,0,0,0,0|2,0,0]=4 5136 B12R1.69 C=CCOc1ccc(cc1I)F 34a_100012355409_100015514636 [0,2,0,0,0,0|2,0,0]=4 5137 B12R1.69 C=CCOc1ccc(cc1I)F 7a_100012355409_100015514636 [0,2,0,0,0,0|2,0,0]=4 5138 B12R1.69 C=CCOc1ccc(cc1I)I 7a_100010001573_100015514636 [0,2,0,0,0,0|2,0,0]=4 5139 B12R1.69 C=CCOc1ccc(cc1N)Br 34a_100000752626_100015514636 [0,2,0,0,0,0|2,0,0]=4 5140 B12R1.69 C=CCOc1ccc(cc1N)Br 7a_100000752626_100015514636 [0,2,0,0,0,0|2,0,0]=4 5141 B12R1.69 C=CCOc1ccc(cc1N)C 34a_100011215204_100015514636 [0,2,0,0,0,0|1,0,0]=3 5142 B12R1.69 C=CCOc1ccc(cc1N)C 7a_100011215204_100015514636 [0,2,0,0,0,0|1,0,0]=3 5143 B12R1.69 C=CCOc1ccc(cc1N)Cl 34a_100000210500_100015514636 [0,2,0,0,0,0|2,0,0]=4 5144 B12R1.69 C=CCOc1ccc(cc1N)Cl 7a_100000210500_100015514636 [0,2,0,0,0,0|2,0,0]=4 5145 B12R1.69 C=CCOc1ccc(cc1N)F 34a_100000759472_100015514636 [0,2,0,0,0,0|2,0,0]=4 5146 B12R1.69 C=CCOc1ccc(cc1N)F 7a_100000759472_100015514636 [0,2,0,0,0,0|2,0,0]=4 5147 B12R1.69 C=CCOc1ccc(cc1N)I 34a_100000753495_100015514636 [0,2,0,0,0,0|2,0,0]=4 5148 B12R1.69 C=CCOc1ccc(cc1N)I 7a_100000753495_100015514636 [0,2,0,0,0,0|2,0,0]=4 5149 B12R1.69 C=CCOc1ccc(cc1N)N 34a_100000725306_100015514636 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.69 C=CCOc1ccc(nc1Br)C 34a_100000702858_100015514636 [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.69 C=CCOc1ccc(nc1Br)C 7a_100000702858_100015514636 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.69 C=CCOc1ccc(nc1C)C 34a_100011218912_100015514636 [0,2,0,0,0,0|2,0,0]=4 5153 B12R1.69 C=CCOc1ccc(nc1C)C 7a_100011218912_100015514636 [0,2,0,0,0,0|2,0,0]=4 5154 B12R1.69 C=CCOc1ccc(nc1Cl)C 34a_100000086286_100015514636 [0,2,0,0,0,0|2,0,0]=4 5155 B12R1.69 C=CCOc1ccc(nc1Cl)C 7a_100000086286_100015514636 [0,2,0,0,0,0|2,0,0]=4 5156 B12R1.69 C=CCOc1ccc(nc1F)C 34a_100000079963_100015514636 [0,2,0,0,0,0|2,0,0]=4 5157 B12R1.69 C=CCOc1ccc(nc1F)C 7a_100000079963_100015514636 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.69 C=CCOc1ccc(nc1I)C 34a_100000023897_100015514636 [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.69 C=CCOc1ccc(nc1I)C 7a_100000023897_100015514636 [0,2,0,0,0,0|2,0,0]=4 5160 B12R1.69 C=CCOc1ccc(nc1N)C 34a_100000694039_100015514636 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.69 C=CCOc1ccc(nc1N)C 7a_100000694039_100015514636 [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.69 C=CCOc1cnc(cc1Br)C 34a_100009843476_100015514636 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.69 C=CCOc1cnc(cc1Br)C 7a_100009843476_100015514636 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.69 C=CCOc1cnc(cc1C)C 34a_200000068632_100015514636 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.69 C=CCOc1cnc(cc1C)C 7a_200000068632_100015514636 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.69 C=CCOc1coc(cc1=O)C 34a_100000081520_100015514636 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.69 C=CCOc1ncc(cc1Br)C 34a_100000719714_100015514636 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.69 C=CCOc1ncc(cc1N)C 34a_100012000488_100015514636 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.69 C=CCSc1ccc(c[n+]1[O-])C 62a_100000210623_100009819918 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100000210623_100011484698 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.69 C=CCSc1ccc(cc1Br)Br 62a_100011484698_100000210623 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100000210623_100009813563 [0,2,0,0,0,0|1,0,0]=3 5173 B12R1.69 C=CCSc1ccc(cc1Br)C 62a_100009813563_100000210623 [0,2,0,0,0,0|1,0,0]=3 5174 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100000210623_100011219703 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.69 C=CCSc1ccc(cc1Br)Cl 62a_100011219703_100000210623 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100000210623_100011217111 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.69 C=CCSc1ccc(cc1Br)F 62a_100011217111_100000210623 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000210623_100000750458 [0,2,0,0,0,0|2,0,0]=4 5179 B12R1.69 C=CCSc1ccc(cc1Br)N 62a_100000750458_100000210623 [0,2,0,0,0,0|2,0,0]=4 5180 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000210623_100000701344 [0,2,0,0,0,0|2,0,0]=4 5181 B12R1.69 C=CCSc1ccc(cc1Br)O 62a_100000701344_100000210623 [0,2,0,0,0,0|2,0,0]=4 5182 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000210623_100000701812 [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.69 C=CCSc1ccc(cc1C)Br 62a_100000701812_100000210623 [0,2,0,0,0,0|2,0,0]=4 5184 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100000210623_100011217332 [0,2,0,0,0,0|1,0,0]=3 5185 B12R1.69 C=CCSc1ccc(cc1C)C 62a_100011217332_100000210623 [0,2,0,0,0,0|1,0,0]=3 5186 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100000210623_100011219607 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.69 C=CCSc1ccc(cc1C)Cl 62a_100011219607_100000210623 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100000210623_100011205405 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.69 C=CCSc1ccc(cc1C)F 62a_100011205405_100000210623 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210623_100000210723 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.69 C=CCSc1ccc(cc1C)N 62a_100000210723_100000210623 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.69 C=CCSc1ccc(cc1C)O 62a_100000210623_100000690111 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100000210623_100011216062 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.69 C=CCSc1ccc(cc1Cl)Br 62a_100011216062_100000210623 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100000210623_100011263221 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.69 C=CCSc1ccc(cc1Cl)C 62a_100011263221_100000210623 [0,2,0,0,0,0|1,0,0]=3 5197 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000210623_100000699841 [0,2,0,0,0,0|2,0,0]=4 5198 B12R1.69 C=CCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210623 [0,2,0,0,0,0|2,0,0]=4 5199 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000210623_100000733362 [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.69 C=CCSc1ccc(cc1Cl)F 62a_100000733362_100000210623 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000210623_100000761885 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.69 C=CCSc1ccc(cc1Cl)N 62a_100000761885_100000210623 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000047559_100000210623 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.69 C=CCSc1ccc(cc1Cl)O 62a_100000210623_100000047559 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100000210623_100009814013 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.69 C=CCSc1ccc(cc1F)Br 62a_100009814013_100000210623 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100000210623_100011216119 [0,2,0,0,0,0|1,0,0]=3 5208 B12R1.69 C=CCSc1ccc(cc1F)C 62a_100011216119_100000210623 [0,2,0,0,0,0|1,0,0]=3 5209 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100000210623_100011216042 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.69 C=CCSc1ccc(cc1F)Cl 62a_100011216042_100000210623 [0,2,0,0,0,0|2,0,0]=4 5211 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000210623_100000750030 [0,2,0,0,0,0|2,0,0]=4 5212 B12R1.69 C=CCSc1ccc(cc1F)F 62a_100000750030_100000210623 [0,2,0,0,0,0|2,0,0]=4 5213 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100000210623_100011356925 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.69 C=CCSc1ccc(cc1F)N 62a_100011356925_100000210623 [0,2,0,0,0,0|2,0,0]=4 5215 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000210623_100000755031 [0,2,0,0,0,0|2,0,0]=4 5216 B12R1.69 C=CCSc1ccc(cc1F)O 62a_100000755031_100000210623 [0,2,0,0,0,0|2,0,0]=4 5217 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000210623_100000743836 [0,2,0,0,0,0|2,0,0]=4 5218 B12R1.69 C=CCSc1ccc(cc1N)Br 62a_100000743836_100000210623 [0,2,0,0,0,0|2,0,0]=4 5219 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100000210623_100011216686 [0,2,0,0,0,0|1,0,0]=3 5220 B12R1.69 C=CCSc1ccc(cc1N)C 62a_100011216686_100000210623 [0,2,0,0,0,0|1,0,0]=3 5221 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000210623_100000761886 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.69 C=CCSc1ccc(cc1N)Cl 62a_100000761886_100000210623 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000210623_100000687223 [0,2,0,0,0,0|2,0,0]=4 5224 B12R1.69 C=CCSc1ccc(cc1N)F 62a_100000687223_100000210623 [0,2,0,0,0,0|2,0,0]=4 5225 B12R1.69 C=CCSc1ccc(cc1N)N 62a_100000210623_200012175722 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.69 C=CCSc1ccc(cc1N)N 62a_200012175722_100000210623 [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100000210623_100011999798 [0,2,0,0,0,0|2,0,0]=4 5228 B12R1.69 C=CCSc1ccc(cc1N)O 62a_100011999798_100000210623 [0,2,0,0,0,0|2,0,0]=4 5229 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100000210623_100012344904 [0,2,0,0,0,0|2,0,0]=4 5230 B12R1.69 C=CCSc1ccc(cc1O)Br 62a_100012344904_100000210623 [0,2,0,0,0,0|2,0,0]=4 5231 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100000210623_100012002257 [0,2,0,0,0,0|1,0,0]=3 5232 B12R1.69 C=CCSc1ccc(cc1O)C 62a_100012002257_100000210623 [0,2,0,0,0,0|1,0,0]=3 5233 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000050036_100000210623 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.69 C=CCSc1ccc(cc1O)Cl 62a_100000210623_100000050036 [0,2,0,0,0,0|2,0,0]=4 5235 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000210623_100000690578 [0,2,0,0,0,0|2,0,0]=4 5236 B12R1.69 C=CCSc1ccc(cc1O)F 62a_100000690578_100000210623 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.69 C=CCSc1ccc(cc1O)O 62a_100000210623_100009813921 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100000210623_100009813853 [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.69 C=CCSc1ccc(nc1C)C 62a_100009813853_100000210623 [0,2,0,0,0,0|2,0,0]=4 5240 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100000210623_100010006597 [0,2,0,0,0,0|2,0,0]=4 5241 B12R1.69 C=CCSc1ccc(nc1F)C 62a_100010006597_100000210623 [0,2,0,0,0,0|2,0,0]=4 5242 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100000210623_100009816662 [0,2,0,0,0,0|2,0,0]=4 5243 B12R1.69 C=CCSc1ccc(nc1N)C 62a_100009816662_100000210623 [0,2,0,0,0,0|2,0,0]=4 5244 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100000210623_100009817604 [0,2,0,0,0,0|2,0,0]=4 5245 B12R1.69 C=CCSc1ccc(nc1O)C 62a_100009817604_100000210623 [0,2,0,0,0,0|2,0,0]=4 5246 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100000210623_100009819613 [0,2,0,0,0,0|2,0,0]=4 5247 B12R1.69 C=CCSc1cnc(cc1C)C 62a_100009819613_100000210623 [0,2,0,0,0,0|2,0,0]=4 5248 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100000210623_100009817891 [0,2,0,0,0,0|2,0,0]=4 5249 B12R1.69 C=CCSc1cnc(cc1N)C 62a_100009817891_100000210623 [0,2,0,0,0,0|2,0,0]=4 5250 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100000210623_100011016184 [0,2,0,0,0,0|2,0,0]=4 5251 B12R1.69 C=CCSc1cnc(cc1O)C 62a_100011016184_100000210623 [0,2,0,0,0,0|2,0,0]=4 5252 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100000210623_100009864548 [0,2,0,0,0,0|2,0,0]=4 5253 B12R1.69 C=CCSc1ncc(cc1C)C 62a_100009864548_100000210623 [0,2,0,0,0,0|2,0,0]=4 5254 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100000210623_100009819633 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.69 C=CCSc1ncc(cc1F)C 62a_100009819633_100000210623 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000210623_100000733613 [0,2,0,0,0,0|2,0,0]=4 5257 B12R1.69 C=CCSc1ncc(cc1N)C 62a_100000733613_100000210623 [0,2,0,0,0,0|2,0,0]=4 5258 B12R1.69 C=CCSc1ncc(cc1O)C 62a_100000210623_100012000487 [0,2,0,0,0,0|2,0,0]=4 5259 B12R1.69 CC=NNc1ccc(cc1Br)C 4a_100016996181_200000210099 [0,2,0,0,0,0|2,0,0]=4 5260 B12R1.69 CC=NNc1ccc(cc1Cl)C 4a_100000006747_200000210099 [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.69 CC=NNc1ccc(cc1F)C 4a_100000689694_200000210099 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.69 CCCNc1ccc(cc1Br)C 34a_100000210942_100000210303 [0,2,0,0,0,0|1,0,1]=4 5269 B12R1.69 CCCNc1ccc(cc1C)C 34a_100000736561_100000210303 [0,2,0,0,0,0|1,0,1]=4 5270 B12R1.69 CCCNc1ccc(cc1C)C 7a_100000736561_100000210303 [0,2,0,0,0,0|1,0,1]=4 5271 B12R1.69 CCCNc1ccc(cc1Cl)C 34a_100000210522_100000210303 [0,2,0,0,0,0|1,0,1]=4 5272 B12R1.69 CCCNc1ccc(cc1F)C 34a_100000211023_100000210303 [0,2,0,0,0,0|1,0,1]=4 5273 B12R1.69 CCCNc1ccc(cc1I)C 34a_100011356834_100000210303 [0,2,0,0,0,0|1,0,1]=4 5274 B12R1.69 CCCNc1ccc(cc1O)C 34a_100000211527_100000210303 [0,2,0,0,0,0|1,0,1]=4 5275 B12R1.69 CCCOc1ccc(cc1Br)C 34a_100000210800_100000210303 [0,2,0,0,0,0|1,0,1]=4 5276 B12R1.69 CCCOc1ccc(cc1Br)C 7a_100000210800_100000210303 [0,2,0,0,0,0|1,0,1]=4 5277 B12R1.69 CCCOc1ccc(cc1C)C 34a_100000211776_100000210303 [0,2,0,0,0,0|1,0,1]=4 5278 B12R1.69 CCCOc1ccc(cc1C)C 7a_100000211776_100000210303 [0,2,0,0,0,0|1,0,1]=4 5279 B12R1.69 CCCOc1ccc(cc1Cl)C 34a_100000749699_100000210303 [0,2,0,0,0,0|1,0,1]=4 5280 B12R1.69 CCCOc1ccc(cc1Cl)C 7a_100000749699_100000210303 [0,2,0,0,0,0|1,0,1]=4 5281 B12R1.69 CCCOc1ccc(cc1F)C 34a_100011216688_100000210303 [0,2,0,0,0,0|1,0,1]=4 5282 B12R1.69 CCCOc1ccc(cc1F)C 7a_100011216688_100000210303 [0,2,0,0,0,0|1,0,1]=4 5283 B12R1.69 CCCOc1ccc(cc1I)C 34a_100000765521_100000210303 [0,2,0,0,0,0|1,0,1]=4 5284 B12R1.69 CCCOc1ccc(cc1I)C 7a_100000765521_100000210303 [0,2,0,0,0,0|1,0,1]=4 5285 B12R1.69 CCCOc1ccc(cc1N)C 34a_100011215204_100000210303 [0,2,0,0,0,0|1,0,1]=4 5286 B12R1.69 CCCOc1ccc(cc1N)C 7a_100011215204_100000210303 [0,2,0,0,0,0|1,0,1]=4 5287 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100000210303_100009813563 [0,2,0,0,0,0|1,0,1]=4 5288 B12R1.69 CCCSc1ccc(cc1Br)C 62a_100009813563_100000210303 [0,2,0,0,0,0|1,0,1]=4 5289 B12R1.69 CCCSc1ccc(cc1C)C 62a_100000210303_100011217332 [0,2,0,0,0,0|1,0,1]=4 5290 B12R1.69 CCCSc1ccc(cc1C)C 62a_100011217332_100000210303 [0,2,0,0,0,0|1,0,1]=4 5291 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100000210303_100011263221 [0,2,0,0,0,0|1,0,1]=4 5292 B12R1.69 CCCSc1ccc(cc1Cl)C 62a_100011263221_100000210303 [0,2,0,0,0,0|1,0,1]=4 5293 B12R1.69 CCCSc1ccc(cc1F)C 62a_100000210303_100011216119 [0,2,0,0,0,0|1,0,1]=4 5294 B12R1.69 CCCSc1ccc(cc1F)C 62a_100011216119_100000210303 [0,2,0,0,0,0|1,0,1]=4 5295 B12R1.69 CCCSc1ccc(cc1N)C 62a_100000210303_100011216686 [0,2,0,0,0,0|1,0,1]=4 5296 B12R1.69 CCCSc1ccc(cc1N)C 62a_100011216686_100000210303 [0,2,0,0,0,0|1,0,1]=4 5297 B12R1.69 CCCSc1ccc(cc1O)C 62a_100000210303_100012002257 [0,2,0,0,0,0|1,0,1]=4 5298 B12R1.69 CCCSc1ccc(cc1O)C 62a_100012002257_100000210303 [0,2,0,0,0,0|1,0,1]=4 5299 B12R1.69 CCNCc1ccc(cc1Br)C 207a_100015525214_100000692596 [0,2,0,0,0,0|1,0,1]=4 5300 B12R1.69 CCNCc1ccc(cc1Br)C 270004a_100015525214_100000692596 [0,2,0,0,0,0|1,0,1]=4 5301 B12R1.69 CCNCc1ccc(cc1C)C 207a_100015525214_100000211342 [0,2,0,0,0,0|1,0,1]=4 5302 B12R1.69 CCNCc1ccc(cc1C)C 2230a_100015525214_100011219618 [0,2,0,0,0,0|1,0,1]=4 5303 B12R1.69 CCNCc1ccc(cc1C)C 270004a_100015525214_100000211342 [0,2,0,0,0,0|1,0,1]=4 5304 B12R1.69 CCNCc1ccc(cc1C)C 34a_100000737523_100000210202 [0,2,0,0,0,0|1,0,1]=4 5305 B12R1.69 CCNCc1ccc(cc1Cl)C 207a_100015525214_100011935181 [0,2,0,0,0,0|1,0,1]=4 5306 B12R1.69 CCNCc1ccc(cc1Cl)C 2230a_100015525214_100012349684 [0,2,0,0,0,0|1,0,1]=4 5307 B12R1.69 CCNCc1ccc(cc1Cl)C 270004a_100015525214_100011935181 [0,2,0,0,0,0|1,0,1]=4 5308 B12R1.69 CCNCc1ccc(cc1Cl)C 34a_100011997539_100000210202 [0,2,0,0,0,0|1,0,1]=4 5309 B12R1.69 CCNCc1ccc(cc1F)C 207a_100015525214_100011217368 [0,2,0,0,0,0|1,0,1]=4 5310 B12R1.69 CCNCc1ccc(cc1F)C 2230a_100015525214_100011217900 [0,2,0,0,0,0|1,0,1]=4 5311 B12R1.69 CCNCc1ccc(cc1F)C 270004a_100015525214_100011217368 [0,2,0,0,0,0|1,0,1]=4 5312 B12R1.69 CCNCc1ccc(cc1F)C 34a_100102887089_100000210202 [0,2,0,0,0,0|1,0,1]=4 5313 B12R1.69 CCNCc1ccc(cc1I)C 207a_100015525214_100010150104 [0,2,0,0,0,0|1,0,1]=4 5314 B12R1.69 CCNCc1ccc(cc1I)C 270004a_100015525214_100010150104 [0,2,0,0,0,0|1,0,1]=4 5315 B12R1.69 CCOCc1ccc(cc1C)C 34a_100011215341_100000210202 [0,2,0,0,0,0|1,0,1]=4 5316 B12R1.69 CCOCc1ccc(cc1C)C 34a_100121572206_100011219618 [0,2,0,0,0,0|1,0,1]=4 5317 B12R1.69 CCOCc1ccc(cc1C)C 7a_100011215341_100000210202 [0,2,0,0,0,0|1,0,1]=4 5318 B12R1.69 CCOCc1ccc(cc1Cl)C 34a_100000720314_100000210202 [0,2,0,0,0,0|1,0,1]=4 5319 B12R1.69 CCOCc1ccc(cc1Cl)C 34a_100121572206_100012349684 [0,2,0,0,0,0|1,0,1]=4 5320 B12R1.69 CCOCc1ccc(cc1Cl)C 7a_100000720314_100000210202 [0,2,0,0,0,0|1,0,1]=4 5321 B12R1.69 CCOCc1ccc(cc1F)C 34a_100011216587_100000210202 [0,2,0,0,0,0|1,0,1]=4 5322 B12R1.69 CCOCc1ccc(cc1F)C 34a_100121572206_100012002367 [0,2,0,0,0,0|1,0,1]=4 5323 B12R1.69 CCOCc1ccc(cc1F)C 7a_100011216587_100000210202 [0,2,0,0,0,0|1,0,1]=4 5324 B12R1.69 CCOCc1ccc(cc1N)C 34a_100000087799_100000210202 [0,2,0,0,0,0|1,0,1]=4 5325 B12R1.69 CCOCc1ccc(cc1N)C 7a_100000087799_100000210202 [0,2,0,0,0,0|1,0,1]=4 5326 B12R1.69 CCSCc1ccc(cc1C)C 62a_100000210202_100011219618 [0,2,0,0,0,0|1,0,1]=4 5327 B12R1.69 CCSCc1ccc(cc1C)C 62a_100011219618_100000210202 [0,2,0,0,0,0|1,0,1]=4 5328 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100000210202_100012349684 [0,2,0,0,0,0|1,0,1]=4 5329 B12R1.69 CCSCc1ccc(cc1Cl)C 62a_100012349684_100000210202 [0,2,0,0,0,0|1,0,1]=4 5330 B12R1.69 CCSCc1ccc(cc1F)C 62a_100000210202_100011217900 [0,2,0,0,0,0|1,0,1]=4 5331 B12R1.69 CCSCc1ccc(cc1F)C 62a_100011217900_100000210202 [0,2,0,0,0,0|1,0,1]=4 5332 B12R1.69 CNCCc1ccc(cc1C)C 2230a_100000745621_200000210301 [0,2,0,0,0,0|1,0,1]=4 5333 B12R1.69 CNCCc1ccc(cc1C)C 270004a_106832991635_100011754701 [0,2,0,0,0,0|1,0,1]=4 5334 B12R1.69 CNCCc1ccc(cc1C)C 34a_100000745621_200000210301 [0,2,0,0,0,0|1,0,1]=4 5335 B12R1.69 COCOc1ccc(cc1O)C 271570a_203496583355_100012265689 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.69 COCSc1ccc(cc1Br)C 62a_100000766300_100009813563 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.69 COCSc1ccc(cc1Br)C 62a_100009813563_100000766300 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.69 COCSc1ccc(cc1C)C 62a_100000766300_100011217332 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.69 COCSc1ccc(cc1C)C 62a_100011217332_100000766300 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.69 COCSc1ccc(cc1Cl)C 62a_100000766300_100011263221 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.69 COCSc1ccc(cc1Cl)C 62a_100011263221_100000766300 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.69 COCSc1ccc(cc1F)C 62a_100000766300_100011216119 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.69 COCSc1ccc(cc1F)C 62a_100011216119_100000766300 [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.69 COCSc1ccc(cc1N)C 62a_100000766300_100011216686 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.69 COCSc1ccc(cc1N)C 62a_100011216686_100000766300 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.69 COCSc1ccc(cc1O)C 62a_100000766300_100012002257 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.69 COCSc1ccc(cc1O)C 62a_100012002257_100000766300 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.69 CSCNc1ccc(cc1Br)C 34a_100000210942_100011218213 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.69 CSCNc1ccc(cc1C)C 34a_100000736561_100011218213 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.69 CSCNc1ccc(cc1Cl)C 34a_100000210522_100011218213 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.69 CSCNc1ccc(cc1F)C 34a_100000211023_100011218213 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.69 CSCNc1ccc(cc1I)C 34a_100011356834_100011218213 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.69 CSCNc1ccc(cc1O)C 34a_100000211527_100011218213 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.69 CSCOc1ccc(cc1Br)C 34a_100000210800_100011218213 [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.69 CSCOc1ccc(cc1C)C 34a_100000211776_100011218213 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.69 CSCOc1ccc(cc1Cl)C 34a_100000749699_100011218213 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.69 CSCOc1ccc(cc1F)C 34a_100011216688_100011218213 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.69 CSCOc1ccc(cc1I)C 34a_100000765521_100011218213 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.69 CSCOc1ccc(cc1N)C 34a_100011215204_100011218213 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.69 CSCSc1ccc(cc1Br)C 62a_100009813563_100011218213 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.69 CSCSc1ccc(cc1Br)C 62a_100011218213_100009813563 [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.69 CSCSc1ccc(cc1C)C 62a_100011217332_100011218213 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.69 CSCSc1ccc(cc1C)C 62a_100011218213_100011217332 [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.69 CSCSc1ccc(cc1Cl)C 62a_100011218213_100011263221 [0,2,0,0,0,0|2,0,0]=4 5365 B12R1.69 CSCSc1ccc(cc1Cl)C 62a_100011263221_100011218213 [0,2,0,0,0,0|2,0,0]=4 5366 B12R1.69 CSCSc1ccc(cc1F)C 62a_100011216119_100011218213 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.69 CSCSc1ccc(cc1F)C 62a_100011218213_100011216119 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.69 CSCSc1ccc(cc1N)C 62a_100011216686_100011218213 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.69 CSCSc1ccc(cc1N)C 62a_100011218213_100011216686 [0,2,0,0,0,0|2,0,0]=4 5370 B12R1.69 CSCSc1ccc(cc1O)C 62a_100011218213_100012002257 [0,2,0,0,0,0|2,0,0]=4 5371 B12R1.69 CSCSc1ccc(cc1O)C 62a_100012002257_100011218213 [0,2,0,0,0,0|2,0,0]=4 5372 B12R1.69 Cc1c[n+](ccc1SCC=O)[O-] 62a_200015260668_100000074940 [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.69 Cc1cc(=O)c(co1)OCC=O 34a_100000081520_200009817547 [0,2,0,0,0,0|1,0,0]=3 5374 B12R1.69 Cc1cc(c(cn1)OCC=O)Br 34a_100009843476_200009817547 [0,2,0,0,0,0|1,0,0]=3 5375 B12R1.69 Cc1cc(c(cn1)OCC=O)Br 7a_100009843476_200015260668 [0,2,0,0,0,0|1,0,0]=3 5376 B12R1.69 Cc1cc(c(cn1)OCC=O)C 34a_200000068632_200009817547 [0,2,0,0,0,0|1,0,0]=3 5377 B12R1.69 Cc1cc(c(cn1)OCC=O)C 7a_200000068632_200015260668 [0,2,0,0,0,0|1,0,0]=3 5378 B12R1.69 Cc1cc(c(cn1)SCC=O)C 62a_100009819613_200015260668 [0,2,0,0,0,0|1,0,0]=3 5379 B12R1.69 Cc1cc(c(cn1)SCC=O)C 62a_200015260668_100009819613 [0,2,0,0,0,0|1,0,0]=3 5380 B12R1.69 Cc1cc(c(cn1)SCC=O)N 62a_100009817891_200015260668 [0,2,0,0,0,0|1,0,0]=3 5381 B12R1.69 Cc1cc(c(cn1)SCC=O)N 62a_200015260668_100009817891 [0,2,0,0,0,0|1,0,0]=3 5382 B12R1.69 Cc1cc(c(cn1)SCC=O)O 62a_100011016184_200015260668 [0,2,0,0,0,0|1,0,0]=3 5383 B12R1.69 Cc1cc(c(cn1)SCC=O)O 62a_200015260668_100011016184 [0,2,0,0,0,0|1,0,0]=3 5384 B12R1.69 Cc1cc(ccc1NCC=O)Br 34a_100000211769_200009817547 [0,2,0,0,0,0|1,0,0]=3 5385 B12R1.69 Cc1cc(ccc1NCC=O)Br 7a_100000211769_200015260668 [0,2,0,0,0,0|1,0,0]=3 5386 B12R1.69 Cc1cc(ccc1NCC=O)Cl 34a_100000210418_200009817547 [0,2,0,0,0,0|1,0,0]=3 5387 B12R1.69 Cc1cc(ccc1NCC=O)Cl 7a_100000210418_200015260668 [0,2,0,0,0,0|1,0,0]=3 5388 B12R1.69 Cc1cc(ccc1NCC=O)F 34a_100000211637_200009817547 [0,2,0,0,0,0|1,0,0]=3 5389 B12R1.69 Cc1cc(ccc1NCC=O)F 7a_100000211637_200015260668 [0,2,0,0,0,0|1,0,0]=3 5390 B12R1.69 Cc1cc(ccc1NCC=O)I 34a_100000184554_200009817547 [0,2,0,0,0,0|1,0,0]=3 5391 B12R1.69 Cc1cc(ccc1NCC=O)I 7a_100000184554_200015260668 [0,2,0,0,0,0|1,0,0]=3 5392 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,0]=3 5393 B12R1.69 Cc1cc(ccc1OCC=O)Br 34a_100000186361_200009817547 [0,2,0,0,0,0|1,0,0]=3 5394 B12R1.69 Cc1cc(ccc1OCC=O)Br 7a_100000186361_200015260668 [0,2,0,0,0,0|1,0,0]=3 5395 B12R1.69 Cc1cc(ccc1OCC=O)Cl 34a_100000211091_200009817547 [0,2,0,0,0,0|1,0,0]=3 5396 B12R1.69 Cc1cc(ccc1OCC=O)Cl 7a_100000211091_200015260668 [0,2,0,0,0,0|1,0,0]=3 5397 B12R1.69 Cc1cc(ccc1OCC=O)F 34a_100000764316_200009817547 [0,2,0,0,0,0|1,0,0]=3 5398 B12R1.69 Cc1cc(ccc1OCC=O)F 7a_100000764316_200015260668 [0,2,0,0,0,0|1,0,0]=3 5399 B12R1.69 Cc1cc(ccc1OCC=O)I 34a_100011218673_200009817547 [0,2,0,0,0,0|1,0,0]=3 5400 B12R1.69 Cc1cc(ccc1OCC=O)I 7a_100011218673_200015260668 [0,2,0,0,0,0|1,0,0]=3 5401 B12R1.69 Cc1cc(ccc1OCC=O)N 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,0]=3 5402 B12R1.69 Cc1cc(ccc1OCC=O)N 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,0]=3 5403 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_100000701812_200015260668 [0,2,0,0,0,0|1,0,0]=3 5404 B12R1.69 Cc1cc(ccc1SCC=O)Br 62a_200015260668_100000701812 [0,2,0,0,0,0|1,0,0]=3 5405 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_100011219607_200015260668 [0,2,0,0,0,0|1,0,0]=3 5406 B12R1.69 Cc1cc(ccc1SCC=O)Cl 62a_200015260668_100011219607 [0,2,0,0,0,0|1,0,0]=3 5407 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_100011205405_200015260668 [0,2,0,0,0,0|1,0,0]=3 5408 B12R1.69 Cc1cc(ccc1SCC=O)F 62a_200015260668_100011205405 [0,2,0,0,0,0|1,0,0]=3 5409 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_100000210723_200015260668 [0,2,0,0,0,0|1,0,0]=3 5410 B12R1.69 Cc1cc(ccc1SCC=O)N 62a_200015260668_100000210723 [0,2,0,0,0,0|1,0,0]=3 5411 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [0,2,0,0,0,0|1,0,0]=3 5412 B12R1.69 Cc1cc(cnc1OCC=O)Br 34a_100000685391_200009817547 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.69 Cc1cc(cnc1SCC=O)Br 62a_100012353652_200015260668 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.69 Cc1cc(cnc1SCC=O)Br 62a_200015260668_100012353652 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.69 Cc1cc(cnc1SCC=O)F 62a_100009817009_200015260668 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.69 Cc1cc(cnc1SCC=O)F 62a_200015260668_100009817009 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.69 Cc1cc(cnc1SCC=O)N 62a_100000761747_200015260668 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.69 Cc1cc(cnc1SCC=O)N 62a_200015260668_100000761747 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.69 Cc1cc(cnc1SCC=O)O 62a_100012000486_200015260668 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.69 Cc1cc(cnc1SCC=O)O 62a_200015260668_100012000486 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.69 Cc1cc(ncc1OCC=O)Cl 34a_100000692680_200009817547 [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.69 Cc1cc(ncc1OCC=O)Cl 7a_100000692680_200015260668 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.69 Cc1cc(ncc1OCC=O)F 34a_100009856773_200009817547 [0,2,0,0,0,0|2,0,0]=4 5424 B12R1.69 Cc1cc(ncc1OCC=O)F 7a_100009856773_200015260668 [0,2,0,0,0,0|2,0,0]=4 5425 B12R1.69 Cc1cc(ncc1SCC=O)Br 62a_100009816104_200015260668 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.69 Cc1cc(ncc1SCC=O)Br 62a_200015260668_100009816104 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.69 Cc1cc(ncc1SCC=O)Cl 62a_100010172789_200015260668 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.69 Cc1cc(ncc1SCC=O)Cl 62a_200015260668_100010172789 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.69 Cc1cc(ncc1SCC=O)F 62a_100009820716_200015260668 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.69 Cc1cc(ncc1SCC=O)F 62a_200015260668_100009820716 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.69 Cc1cc(ncc1SCC=O)N 62a_100000050067_200015260668 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.69 Cc1cc(ncc1SCC=O)N 62a_200015260668_100000050067 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.69 Cc1cc(ncc1SCC=O)O 62a_100000766222_200015260668 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.69 Cc1cc(ncc1SCC=O)O 62a_200015260668_100000766222 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.69 Cc1ccc([n+](c1)[O-])SCC=O 62a_200015260668_100009819918 [0,2,0,0,0,0|1,0,0]=3 5436 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [0,2,0,0,0,0|0,0,0]=2 5437 B12R1.69 Cc1ccc(c(c1)Br)NCCF 34a_100000210942_100011217306 [0,2,0,0,0,0|1,0,1]=4 5438 B12R1.69 Cc1ccc(c(c1)Br)NCCO 34a_100000210942_100000211926 [0,2,0,0,0,0|0,0,2]=4 5439 B12R1.69 Cc1ccc(c(c1)Br)OCC#N 7a_100000210800_100011215382 [0,2,0,0,0,0|1,0,1]=4 5440 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [0,2,0,0,0,0|0,0,0]=2 5441 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [0,2,0,0,0,0|0,0,0]=2 5442 B12R1.69 Cc1ccc(c(c1)Br)OCCF 34a_100000210800_100011217306 [0,2,0,0,0,0|1,0,1]=4 5443 B12R1.69 Cc1ccc(c(c1)Br)OCCF 7a_100000210800_100011217306 [0,2,0,0,0,0|1,0,1]=4 5444 B12R1.69 Cc1ccc(c(c1)Br)OCCO 34a_100000210800_100000211926 [0,2,0,0,0,0|0,0,2]=4 5445 B12R1.69 Cc1ccc(c(c1)Br)OCCO 7a_100000210800_100000211926 [0,2,0,0,0,0|0,0,2]=4 5446 B12R1.69 Cc1ccc(c(c1)Br)SCC#N 62a_100009813563_100011215382 [0,2,0,0,0,0|1,0,1]=4 5447 B12R1.69 Cc1ccc(c(c1)Br)SCC#N 62a_100011215382_100009813563 [0,2,0,0,0,0|1,0,1]=4 5448 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [0,2,0,0,0,0|0,0,0]=2 5449 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [0,2,0,0,0,0|0,0,0]=2 5450 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100009813563_100011217306 [0,2,0,0,0,0|1,0,1]=4 5451 B12R1.69 Cc1ccc(c(c1)Br)SCCF 62a_100011217306_100009813563 [0,2,0,0,0,0|1,0,1]=4 5452 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100000211926_100009813563 [0,2,0,0,0,0|0,0,2]=4 5453 B12R1.69 Cc1ccc(c(c1)Br)SCCO 62a_100009813563_100000211926 [0,2,0,0,0,0|0,0,2]=4 5454 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 2230a_100000745621_200025704644 [0,2,0,0,0,0|1,0,1]=4 5455 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 34a_100000745621_200025704644 [0,2,0,0,0,0|1,0,1]=4 5456 B12R1.69 Cc1ccc(c(c1)C)CNCF 34a_100000737523_100015361967 [0,2,0,0,0,0|1,0,1]=4 5457 B12R1.69 Cc1ccc(c(c1)C)COCF 34a_100011215341_100015361967 [0,2,0,0,0,0|1,0,1]=4 5458 B12R1.69 Cc1ccc(c(c1)C)COCF 7a_100011215341_100015361967 [0,2,0,0,0,0|1,0,1]=4 5459 B12R1.69 Cc1ccc(c(c1)C)CSCF 62a_100011219618_100015361967 [0,2,0,0,0,0|1,0,1]=4 5460 B12R1.69 Cc1ccc(c(c1)C)CSCF 62a_100015361967_100011219618 [0,2,0,0,0,0|1,0,1]=4 5461 B12R1.69 Cc1ccc(c(c1)C)NCC#N 7a_100000736561_100011215382 [0,2,0,0,0,0|1,0,1]=4 5462 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [0,2,0,0,0,0|0,0,0]=2 5463 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [0,2,0,0,0,0|0,0,0]=2 5464 B12R1.69 Cc1ccc(c(c1)C)NCCF 34a_100000736561_100011217306 [0,2,0,0,0,0|1,0,1]=4 5465 B12R1.69 Cc1ccc(c(c1)C)NCCF 7a_100000736561_100011217306 [0,2,0,0,0,0|1,0,1]=4 5466 B12R1.69 Cc1ccc(c(c1)C)NCCO 34a_100000736561_100000211926 [0,2,0,0,0,0|0,0,2]=4 5467 B12R1.69 Cc1ccc(c(c1)C)NCCO 7a_100000736561_100000211926 [0,2,0,0,0,0|0,0,2]=4 5468 B12R1.69 Cc1ccc(c(c1)C)OCC#N 7a_100000211776_100011215382 [0,2,0,0,0,0|1,0,1]=4 5469 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [0,2,0,0,0,0|0,0,0]=2 5470 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [0,2,0,0,0,0|0,0,0]=2 5471 B12R1.69 Cc1ccc(c(c1)C)OCCF 34a_100000211776_100011217306 [0,2,0,0,0,0|1,0,1]=4 5472 B12R1.69 Cc1ccc(c(c1)C)OCCF 7a_100000211776_100011217306 [0,2,0,0,0,0|1,0,1]=4 5473 B12R1.69 Cc1ccc(c(c1)C)OCCO 34a_100000211776_100000211926 [0,2,0,0,0,0|0,0,2]=4 5474 B12R1.69 Cc1ccc(c(c1)C)OCCO 7a_100000211776_100000211926 [0,2,0,0,0,0|0,0,2]=4 5475 B12R1.69 Cc1ccc(c(c1)C)SCC#N 62a_100011215382_100011217332 [0,2,0,0,0,0|1,0,1]=4 5476 B12R1.69 Cc1ccc(c(c1)C)SCC#N 62a_100011217332_100011215382 [0,2,0,0,0,0|1,0,1]=4 5477 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [0,2,0,0,0,0|0,0,0]=2 5478 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [0,2,0,0,0,0|0,0,0]=2 5479 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217306_100011217332 [0,2,0,0,0,0|1,0,1]=4 5480 B12R1.69 Cc1ccc(c(c1)C)SCCF 62a_100011217332_100011217306 [0,2,0,0,0,0|1,0,1]=4 5481 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100000211926_100011217332 [0,2,0,0,0,0|0,0,2]=4 5482 B12R1.69 Cc1ccc(c(c1)C)SCCO 62a_100011217332_100000211926 [0,2,0,0,0,0|0,0,2]=4 5483 B12R1.69 Cc1ccc(c(c1)Cl)CNCF 34a_100011997539_100015361967 [0,2,0,0,0,0|1,0,1]=4 5484 B12R1.69 Cc1ccc(c(c1)Cl)COCF 34a_100000720314_100015361967 [0,2,0,0,0,0|1,0,1]=4 5485 B12R1.69 Cc1ccc(c(c1)Cl)COCF 7a_100000720314_100015361967 [0,2,0,0,0,0|1,0,1]=4 5486 B12R1.69 Cc1ccc(c(c1)Cl)CSCF 62a_100012349684_100015361967 [0,2,0,0,0,0|1,0,1]=4 5487 B12R1.69 Cc1ccc(c(c1)Cl)CSCF 62a_100015361967_100012349684 [0,2,0,0,0,0|1,0,1]=4 5488 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [0,2,0,0,0,0|0,0,0]=2 5489 B12R1.69 Cc1ccc(c(c1)Cl)NCCF 34a_100000210522_100011217306 [0,2,0,0,0,0|1,0,1]=4 5490 B12R1.69 Cc1ccc(c(c1)Cl)NCCO 34a_100000210522_100000211926 [0,2,0,0,0,0|0,0,2]=4 5491 B12R1.69 Cc1ccc(c(c1)Cl)OCC#N 7a_100000749699_100011215382 [0,2,0,0,0,0|1,0,1]=4 5492 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [0,2,0,0,0,0|0,0,0]=2 5493 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [0,2,0,0,0,0|0,0,0]=2 5494 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 34a_100000749699_100011217306 [0,2,0,0,0,0|1,0,1]=4 5495 B12R1.69 Cc1ccc(c(c1)Cl)OCCF 7a_100000749699_100011217306 [0,2,0,0,0,0|1,0,1]=4 5496 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 34a_100000749699_100000211926 [0,2,0,0,0,0|0,0,2]=4 5497 B12R1.69 Cc1ccc(c(c1)Cl)OCCO 7a_100000749699_100000211926 [0,2,0,0,0,0|0,0,2]=4 5498 B12R1.69 Cc1ccc(c(c1)Cl)SCC#N 62a_100011215382_100011263221 [0,2,0,0,0,0|1,0,1]=4 5499 B12R1.69 Cc1ccc(c(c1)Cl)SCC#N 62a_100011263221_100011215382 [0,2,0,0,0,0|1,0,1]=4 5500 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [0,2,0,0,0,0|0,0,0]=2 5501 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [0,2,0,0,0,0|0,0,0]=2 5502 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011217306_100011263221 [0,2,0,0,0,0|1,0,1]=4 5503 B12R1.69 Cc1ccc(c(c1)Cl)SCCF 62a_100011263221_100011217306 [0,2,0,0,0,0|1,0,1]=4 5504 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100000211926_100011263221 [0,2,0,0,0,0|0,0,2]=4 5505 B12R1.69 Cc1ccc(c(c1)Cl)SCCO 62a_100011263221_100000211926 [0,2,0,0,0,0|0,0,2]=4 5506 B12R1.69 Cc1ccc(c(c1)F)CNCF 34a_100102887089_100015361967 [0,2,0,0,0,0|1,0,1]=4 5507 B12R1.69 Cc1ccc(c(c1)F)COCF 34a_100011216587_100015361967 [0,2,0,0,0,0|1,0,1]=4 5508 B12R1.69 Cc1ccc(c(c1)F)COCF 7a_100011216587_100015361967 [0,2,0,0,0,0|1,0,1]=4 5509 B12R1.69 Cc1ccc(c(c1)F)CSCF 62a_100011217900_100015361967 [0,2,0,0,0,0|1,0,1]=4 5510 B12R1.69 Cc1ccc(c(c1)F)CSCF 62a_100015361967_100011217900 [0,2,0,0,0,0|1,0,1]=4 5511 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [0,2,0,0,0,0|0,0,0]=2 5512 B12R1.69 Cc1ccc(c(c1)F)NCCF 34a_100000211023_100011217306 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.69 Cc1ccc(c(c1)F)NCCO 34a_100000211023_100000211926 [0,2,0,0,0,0|0,0,2]=4 5514 B12R1.69 Cc1ccc(c(c1)F)OCC#N 7a_100011216688_100011215382 [0,2,0,0,0,0|1,0,1]=4 5515 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [0,2,0,0,0,0|0,0,0]=2 5516 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [0,2,0,0,0,0|0,0,0]=2 5517 B12R1.69 Cc1ccc(c(c1)F)OCCF 34a_100011216688_100011217306 [0,2,0,0,0,0|1,0,1]=4 5518 B12R1.69 Cc1ccc(c(c1)F)OCCF 7a_100011216688_100011217306 [0,2,0,0,0,0|1,0,1]=4 5519 B12R1.69 Cc1ccc(c(c1)F)OCCO 34a_100011216688_100000211926 [0,2,0,0,0,0|0,0,2]=4 5520 B12R1.69 Cc1ccc(c(c1)F)OCCO 7a_100011216688_100000211926 [0,2,0,0,0,0|0,0,2]=4 5521 B12R1.69 Cc1ccc(c(c1)F)SCC#N 62a_100011215382_100011216119 [0,2,0,0,0,0|1,0,1]=4 5522 B12R1.69 Cc1ccc(c(c1)F)SCC#N 62a_100011216119_100011215382 [0,2,0,0,0,0|1,0,1]=4 5523 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [0,2,0,0,0,0|0,0,0]=2 5524 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [0,2,0,0,0,0|0,0,0]=2 5525 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011216119_100011217306 [0,2,0,0,0,0|1,0,1]=4 5526 B12R1.69 Cc1ccc(c(c1)F)SCCF 62a_100011217306_100011216119 [0,2,0,0,0,0|1,0,1]=4 5527 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100000211926_100011216119 [0,2,0,0,0,0|0,0,2]=4 5528 B12R1.69 Cc1ccc(c(c1)F)SCCO 62a_100011216119_100000211926 [0,2,0,0,0,0|0,0,2]=4 5529 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [0,2,0,0,0,0|0,0,0]=2 5530 B12R1.69 Cc1ccc(c(c1)I)NCCF 34a_100011356834_100011217306 [0,2,0,0,0,0|1,0,1]=4 5531 B12R1.69 Cc1ccc(c(c1)I)NCCO 34a_100011356834_100000211926 [0,2,0,0,0,0|0,0,2]=4 5532 B12R1.69 Cc1ccc(c(c1)I)OCC#N 7a_100000765521_100011215382 [0,2,0,0,0,0|1,0,1]=4 5533 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [0,2,0,0,0,0|0,0,0]=2 5534 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [0,2,0,0,0,0|0,0,0]=2 5535 B12R1.69 Cc1ccc(c(c1)I)OCCF 34a_100000765521_100011217306 [0,2,0,0,0,0|1,0,1]=4 5536 B12R1.69 Cc1ccc(c(c1)I)OCCF 7a_100000765521_100011217306 [0,2,0,0,0,0|1,0,1]=4 5537 B12R1.69 Cc1ccc(c(c1)I)OCCO 34a_100000765521_100000211926 [0,2,0,0,0,0|0,0,2]=4 5538 B12R1.69 Cc1ccc(c(c1)I)OCCO 7a_100000765521_100000211926 [0,2,0,0,0,0|0,0,2]=4 5539 B12R1.69 Cc1ccc(c(c1)N)COCF 34a_100000087799_100015361967 [0,2,0,0,0,0|1,0,1]=4 5540 B12R1.69 Cc1ccc(c(c1)N)COCF 7a_100000087799_100015361967 [0,2,0,0,0,0|1,0,1]=4 5541 B12R1.69 Cc1ccc(c(c1)N)OCC#N 7a_100011215204_100011215382 [0,2,0,0,0,0|1,0,1]=4 5542 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [0,2,0,0,0,0|0,0,0]=2 5543 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [0,2,0,0,0,0|0,0,0]=2 5544 B12R1.69 Cc1ccc(c(c1)N)OCCF 34a_100011215204_100011217306 [0,2,0,0,0,0|1,0,1]=4 5545 B12R1.69 Cc1ccc(c(c1)N)OCCF 7a_100011215204_100011217306 [0,2,0,0,0,0|1,0,1]=4 5546 B12R1.69 Cc1ccc(c(c1)N)OCCO 34a_100011215204_100000211926 [0,2,0,0,0,0|0,0,2]=4 5547 B12R1.69 Cc1ccc(c(c1)N)OCCO 7a_100011215204_100000211926 [0,2,0,0,0,0|0,0,2]=4 5548 B12R1.69 Cc1ccc(c(c1)N)SCC#N 62a_100011215382_100011216686 [0,2,0,0,0,0|1,0,1]=4 5549 B12R1.69 Cc1ccc(c(c1)N)SCC#N 62a_100011216686_100011215382 [0,2,0,0,0,0|1,0,1]=4 5550 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [0,2,0,0,0,0|0,0,0]=2 5551 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [0,2,0,0,0,0|0,0,0]=2 5552 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011216686_100011217306 [0,2,0,0,0,0|1,0,1]=4 5553 B12R1.69 Cc1ccc(c(c1)N)SCCF 62a_100011217306_100011216686 [0,2,0,0,0,0|1,0,1]=4 5554 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100000211926_100011216686 [0,2,0,0,0,0|0,0,2]=4 5555 B12R1.69 Cc1ccc(c(c1)N)SCCO 62a_100011216686_100000211926 [0,2,0,0,0,0|0,0,2]=4 5556 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [0,2,0,0,0,0|0,0,0]=2 5557 B12R1.69 Cc1ccc(c(c1)O)NCCF 34a_100000211527_100011217306 [0,2,0,0,0,0|1,0,1]=4 5558 B12R1.69 Cc1ccc(c(c1)O)NCCO 34a_100000211527_100000211926 [0,2,0,0,0,0|0,0,2]=4 5559 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,2,0,0,0,0|1,0,1]=4 5560 B12R1.69 Cc1ccc(c(c1)O)SCC#N 62a_100011215382_100012002257 [0,2,0,0,0,0|1,0,1]=4 5561 B12R1.69 Cc1ccc(c(c1)O)SCC#N 62a_100012002257_100011215382 [0,2,0,0,0,0|1,0,1]=4 5562 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [0,2,0,0,0,0|0,0,0]=2 5563 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [0,2,0,0,0,0|0,0,0]=2 5564 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100011217306_100012002257 [0,2,0,0,0,0|1,0,1]=4 5565 B12R1.69 Cc1ccc(c(c1)O)SCCF 62a_100012002257_100011217306 [0,2,0,0,0,0|1,0,1]=4 5566 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100000211926_100012002257 [0,2,0,0,0,0|0,0,2]=4 5567 B12R1.69 Cc1ccc(c(c1)O)SCCO 62a_100012002257_100000211926 [0,2,0,0,0,0|0,0,2]=4 5568 B12R1.69 Cc1ccc(c(n1)Br)OCC=O 34a_100000702858_200009817547 [0,2,0,0,0,0|1,0,0]=3 5569 B12R1.69 Cc1ccc(c(n1)Br)OCC=O 7a_100000702858_200015260668 [0,2,0,0,0,0|1,0,0]=3 5570 B12R1.69 Cc1ccc(c(n1)C)OCC=O 34a_100011218912_200009817547 [0,2,0,0,0,0|1,0,0]=3 5571 B12R1.69 Cc1ccc(c(n1)C)OCC=O 7a_100011218912_200015260668 [0,2,0,0,0,0|1,0,0]=3 5572 B12R1.69 Cc1ccc(c(n1)C)SCC=O 62a_100009813853_200015260668 [0,2,0,0,0,0|1,0,0]=3 5573 B12R1.69 Cc1ccc(c(n1)C)SCC=O 62a_200015260668_100009813853 [0,2,0,0,0,0|1,0,0]=3 5574 B12R1.69 Cc1ccc(c(n1)Cl)OCC=O 34a_100000086286_200009817547 [0,2,0,0,0,0|1,0,0]=3 5575 B12R1.69 Cc1ccc(c(n1)Cl)OCC=O 7a_100000086286_200015260668 [0,2,0,0,0,0|1,0,0]=3 5576 B12R1.69 Cc1ccc(c(n1)F)OCC=O 34a_100000079963_200009817547 [0,2,0,0,0,0|1,0,0]=3 5577 B12R1.69 Cc1ccc(c(n1)F)OCC=O 7a_100000079963_200015260668 [0,2,0,0,0,0|1,0,0]=3 5578 B12R1.69 Cc1ccc(c(n1)F)SCC=O 62a_100010006597_200015260668 [0,2,0,0,0,0|1,0,0]=3 5579 B12R1.69 Cc1ccc(c(n1)F)SCC=O 62a_200015260668_100010006597 [0,2,0,0,0,0|1,0,0]=3 5580 B12R1.69 Cc1ccc(c(n1)I)OCC=O 34a_100000023897_200009817547 [0,2,0,0,0,0|1,0,0]=3 5581 B12R1.69 Cc1ccc(c(n1)I)OCC=O 7a_100000023897_200015260668 [0,2,0,0,0,0|1,0,0]=3 5582 B12R1.69 Cc1ccc(c(n1)N)OCC=O 34a_100000694039_200009817547 [0,2,0,0,0,0|1,0,0]=3 5583 B12R1.69 Cc1ccc(c(n1)N)OCC=O 7a_100000694039_200015260668 [0,2,0,0,0,0|1,0,0]=3 5584 B12R1.69 Cc1ccc(c(n1)N)SCC=O 62a_100009816662_200015260668 [0,2,0,0,0,0|1,0,0]=3 5585 B12R1.69 Cc1ccc(c(n1)N)SCC=O 62a_200015260668_100009816662 [0,2,0,0,0,0|1,0,0]=3 5586 B12R1.69 Cc1ccc(c(n1)O)SCC=O 62a_100009817604_200015260668 [0,2,0,0,0,0|1,0,0]=3 5587 B12R1.69 Cc1ccc(c(n1)O)SCC=O 62a_200015260668_100009817604 [0,2,0,0,0,0|1,0,0]=3 5588 B12R1.69 Cc1cnc(c(c1)Br)OCC=O 34a_100000719714_200009817547 [0,2,0,0,0,0|1,0,0]=3 5589 B12R1.69 Cc1cnc(c(c1)C)SCC=O 62a_100009864548_200015260668 [0,2,0,0,0,0|1,0,0]=3 5590 B12R1.69 Cc1cnc(c(c1)C)SCC=O 62a_200015260668_100009864548 [0,2,0,0,0,0|1,0,0]=3 5591 B12R1.69 Cc1cnc(c(c1)F)SCC=O 62a_100009819633_200015260668 [0,2,0,0,0,0|1,0,0]=3 5592 B12R1.69 Cc1cnc(c(c1)F)SCC=O 62a_200015260668_100009819633 [0,2,0,0,0,0|1,0,0]=3 5593 B12R1.69 Cc1cnc(c(c1)N)OCC=O 34a_100012000488_200009817547 [0,2,0,0,0,0|1,0,0]=3 5594 B12R1.69 Cc1cnc(c(c1)N)SCC=O 62a_100000733613_200015260668 [0,2,0,0,0,0|1,0,0]=3 5595 B12R1.69 Cc1cnc(c(c1)N)SCC=O 62a_200015260668_100000733613 [0,2,0,0,0,0|1,0,0]=3 5596 B12R1.69 Cc1cnc(c(c1)O)SCC=O 62a_200015260668_100012000487 [0,2,0,0,0,0|1,0,0]=3 5597 B12R1.69 Cc1cnc(c(n1)C)SCC=O 62a_100000065684_200015260668 [0,2,0,0,0,0|2,0,0]=4 5598 B12R1.69 Cc1cnc(c(n1)C)SCC=O 62a_200015260668_100000065684 [0,2,0,0,0,0|2,0,0]=4 5599 B12R1.69 Cc1nc(ccc1OCC=O)Br 34a_100012002022_200009817547 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.69 Cc1nc(ccc1OCC=O)Br 7a_100012002022_200015260668 [0,2,0,0,0,0|2,0,0]=4 5601 B12R1.69 Cc1nc(ccc1OCC=O)Cl 34a_100012184626_200009817547 [0,2,0,0,0,0|2,0,0]=4 5602 B12R1.69 Cc1nc(ccc1OCC=O)Cl 7a_100012184626_200015260668 [0,2,0,0,0,0|2,0,0]=4 5603 B12R1.69 Cc1nc(ccc1OCC=O)F 34a_100009881036_200009817547 [0,2,0,0,0,0|2,0,0]=4 5604 B12R1.69 Cc1nc(ccc1OCC=O)F 7a_100009881036_200015260668 [0,2,0,0,0,0|2,0,0]=4 5605 B12R1.69 Cc1nc(ccc1OCC=O)I 34a_100010233687_200009817547 [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.69 Cc1nc(ccc1OCC=O)I 7a_100010233687_200015260668 [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.69 Cc1nc(ccc1SCC=O)Cl 62a_100000062408_200015260668 [0,2,0,0,0,0|2,0,0]=4 5608 B12R1.69 Cc1nc(ccc1SCC=O)Cl 62a_200015260668_100000062408 [0,2,0,0,0,0|2,0,0]=4 5609 B12R1.69 Cc1nc(ccc1SCC=O)F 62a_100000688911_200015260668 [0,2,0,0,0,0|2,0,0]=4 5610 B12R1.69 Cc1nc(ccc1SCC=O)F 62a_200015260668_100000688911 [0,2,0,0,0,0|2,0,0]=4 5611 B12R1.69 Cc1nc(ccc1SCC=O)N 62a_100000187202_200015260668 [0,2,0,0,0,0|2,0,0]=4 5612 B12R1.69 Cc1nc(ccc1SCC=O)N 62a_200015260668_100000187202 [0,2,0,0,0,0|2,0,0]=4 5613 B12R1.69 Cc1nc(ccc1SCC=O)O 62a_100000691680_200015260668 [0,2,0,0,0,0|2,0,0]=4 5614 B12R1.69 Cc1nc(ccc1SCC=O)O 62a_200015260668_100000691680 [0,2,0,0,0,0|2,0,0]=4 5615 B12R1.69 Cc1ncc(c(=O)[nH]1)SCC=O 62a_100011999157_200015260668 [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.69 Cc1ncc(c(=O)[nH]1)SCC=O 62a_200015260668_100011999157 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.69 Cc1ncc(c(n1)C)OCC=O 34a_100009864123_200009817547 [0,2,0,0,0,0|2,0,0]=4 5618 B12R1.69 Cc1ncc(c(n1)C)OCC=O 7a_100009864123_200015260668 [0,2,0,0,0,0|2,0,0]=4 5619 B12R1.69 Cc1ncc(c(n1)N)SCC=O 62a_100000684960_200015260668 [0,2,0,0,0,0|2,0,0]=4 5620 B12R1.69 Cc1ncc(c(n1)N)SCC=O 62a_200015260668_100000684960 [0,2,0,0,0,0|2,0,0]=4 5621 B12R1.69 Nc1[nH]c(=O)ccc1SCC=O 62a_100009884077_200015260668 [0,2,0,0,0,0|2,0,0]=4 5622 B12R1.69 Nc1cc(c(cn1)SCC=O)Br 62a_100010074611_200015260668 [0,2,0,0,0,0|2,0,0]=4 5623 B12R1.69 Nc1cc(c(cn1)SCC=O)Br 62a_200015260668_100010074611 [0,2,0,0,0,0|2,0,0]=4 5624 B12R1.69 Nc1cc(c(cn1)SCC=O)Cl 62a_100000694920_200015260668 [0,2,0,0,0,0|2,0,0]=4 5625 B12R1.69 Nc1cc(c(cn1)SCC=O)Cl 62a_200015260668_100000694920 [0,2,0,0,0,0|2,0,0]=4 5626 B12R1.69 Nc1cc(c(cn1)SCC=O)F 62a_100009844730_200015260668 [0,2,0,0,0,0|2,0,0]=4 5627 B12R1.69 Nc1cc(c(cn1)SCC=O)F 62a_200015260668_100009844730 [0,2,0,0,0,0|2,0,0]=4 5628 B12R1.69 Nc1cc(c(cn1)SCC=O)N 62a_200009857908_200015260668 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.69 Nc1cc(c(cn1)SCC=O)N 62a_200015260668_200009857908 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.69 Nc1cc(ccc1OCC=O)Br 34a_100000752626_200009817547 [0,2,0,0,0,0|1,0,0]=3 5631 B12R1.69 Nc1cc(ccc1OCC=O)Br 7a_100000752626_200015260668 [0,2,0,0,0,0|1,0,0]=3 5632 B12R1.69 Nc1cc(ccc1OCC=O)Cl 34a_100000210500_200009817547 [0,2,0,0,0,0|1,0,0]=3 5633 B12R1.69 Nc1cc(ccc1OCC=O)Cl 7a_100000210500_200015260668 [0,2,0,0,0,0|1,0,0]=3 5634 B12R1.69 Nc1cc(ccc1OCC=O)F 34a_100000759472_200009817547 [0,2,0,0,0,0|1,0,0]=3 5635 B12R1.69 Nc1cc(ccc1OCC=O)F 7a_100000759472_200015260668 [0,2,0,0,0,0|1,0,0]=3 5636 B12R1.69 Nc1cc(ccc1OCC=O)I 34a_100000753495_200009817547 [0,2,0,0,0,0|1,0,0]=3 5637 B12R1.69 Nc1cc(ccc1OCC=O)I 7a_100000753495_200015260668 [0,2,0,0,0,0|1,0,0]=3 5638 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_100000743836_200015260668 [0,2,0,0,0,0|1,0,0]=3 5639 B12R1.69 Nc1cc(ccc1SCC=O)Br 62a_200015260668_100000743836 [0,2,0,0,0,0|1,0,0]=3 5640 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_100000761886_200015260668 [0,2,0,0,0,0|1,0,0]=3 5641 B12R1.69 Nc1cc(ccc1SCC=O)Cl 62a_200015260668_100000761886 [0,2,0,0,0,0|1,0,0]=3 5642 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_100000687223_200015260668 [0,2,0,0,0,0|1,0,0]=3 5643 B12R1.69 Nc1cc(ccc1SCC=O)F 62a_200015260668_100000687223 [0,2,0,0,0,0|1,0,0]=3 5644 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [0,2,0,0,0,0|1,0,0]=3 5645 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [0,2,0,0,0,0|1,0,0]=3 5646 B12R1.69 Nc1cc(cnc1OCC=O)Br 34a_100000743729_200009817547 [0,2,0,0,0,0|2,0,0]=4 5647 B12R1.69 Nc1cc(cnc1OCC=O)Cl 34a_100011998249_200009817547 [0,2,0,0,0,0|2,0,0]=4 5648 B12R1.69 Nc1cc(cnc1SCC=O)Br 62a_100010090555_200015260668 [0,2,0,0,0,0|2,0,0]=4 5649 B12R1.69 Nc1cc(cnc1SCC=O)Br 62a_200015260668_100010090555 [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.69 Nc1cc(cnc1SCC=O)F 62a_100009817643_200015260668 [0,2,0,0,0,0|2,0,0]=4 5651 B12R1.69 Nc1cc(cnc1SCC=O)F 62a_200015260668_100009817643 [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.69 Nc1cc(ncc1OCC=O)Br 34a_100009819941_200009817547 [0,2,0,0,0,0|2,0,0]=4 5653 B12R1.69 Nc1cc(ncc1OCC=O)Br 7a_100009819941_200015260668 [0,2,0,0,0,0|2,0,0]=4 5654 B12R1.69 Nc1cc(ncc1SCC=O)Cl 62a_100010209552_200015260668 [0,2,0,0,0,0|2,0,0]=4 5655 B12R1.69 Nc1cc(ncc1SCC=O)Cl 62a_200015260668_100010209552 [0,2,0,0,0,0|2,0,0]=4 5656 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,0]=3 5657 B12R1.69 Nc1ccc(c(c1)Br)OCC=O 7a_100011534360_200015260668 [0,2,0,0,0,0|1,0,0]=3 5658 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_100000750458_200015260668 [0,2,0,0,0,0|1,0,0]=3 5659 B12R1.69 Nc1ccc(c(c1)Br)SCC=O 62a_200015260668_100000750458 [0,2,0,0,0,0|1,0,0]=3 5660 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,0]=3 5661 B12R1.69 Nc1ccc(c(c1)Cl)OCC=O 7a_100000744943_200015260668 [0,2,0,0,0,0|1,0,0]=3 5662 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_100000761885_200015260668 [0,2,0,0,0,0|1,0,0]=3 5663 B12R1.69 Nc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100000761885 [0,2,0,0,0,0|1,0,0]=3 5664 B12R1.69 Nc1ccc(c(c1)F)OCC=O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,0]=3 5665 B12R1.69 Nc1ccc(c(c1)F)OCC=O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,0]=3 5666 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_100011356925_200015260668 [0,2,0,0,0,0|1,0,0]=3 5667 B12R1.69 Nc1ccc(c(c1)F)SCC=O 62a_200015260668_100011356925 [0,2,0,0,0,0|1,0,0]=3 5668 B12R1.69 Nc1ccc(c(c1)N)OCC=O 34a_100000725306_200009817547 [0,2,0,0,0,0|1,0,0]=3 5669 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200012175722_200015260668 [0,2,0,0,0,0|1,0,0]=3 5670 B12R1.69 Nc1ccc(c(c1)N)SCC=O 62a_200015260668_200012175722 [0,2,0,0,0,0|1,0,0]=3 5671 B12R1.69 Nc1ccc(c(n1)Br)SCC=O 62a_100010734177_200015260668 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.69 Nc1ccc(c(n1)Br)SCC=O 62a_200015260668_100010734177 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.69 Nc1ccc(c(n1)Cl)SCC=O 62a_100010270343_200015260668 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.69 Nc1ccc(c(n1)Cl)SCC=O 62a_200015260668_100010270343 [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.69 Nc1ccc(c(n1)F)SCC=O 62a_100009882772_200015260668 [0,2,0,0,0,0|2,0,0]=4 5676 B12R1.69 Nc1ccc(c(n1)F)SCC=O 62a_200015260668_100009882772 [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.69 Nc1ccc(c(n1)N)SCC=O 62a_100011356871_200015260668 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.69 Nc1cnc(c(c1)F)SCC=O 62a_100010280766_200015260668 [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.69 Nc1cnc(c(c1)F)SCC=O 62a_200015260668_100010280766 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.69 Nc1cnc(c(c1)N)SCC=O 62a_200000093520_200015260668 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.69 Nc1cnc(c(c1)N)SCC=O 62a_200015260668_200000093520 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.69 Nc1nc(ccc1OCC=O)Br 34a_100000685527_200009817547 [0,2,0,0,0,0|2,0,0]=4 5683 B12R1.69 Nc1nc(ccc1OCC=O)Br 7a_100000685527_200015260668 [0,2,0,0,0,0|2,0,0]=4 5684 B12R1.69 Nc1nc(ccc1OCC=O)Cl 34a_100000717809_200009817547 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.69 Nc1nc(ccc1OCC=O)Cl 7a_100000717809_200015260668 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.69 Nc1nc(ccc1SCC=O)Cl 62a_100010171640_200015260668 [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.69 Nc1nc(ccc1SCC=O)Cl 62a_200015260668_100010171640 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.69 Nc1nc(ccc1SCC=O)F 62a_100009854977_200015260668 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.69 Nc1nc(ccc1SCC=O)F 62a_200015260668_100009854977 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.69 O=CCNc1ccc(cc1Br)Br 34a_100000211012_200009817547 [0,2,0,0,0,0|1,0,0]=3 5691 B12R1.69 O=CCNc1ccc(cc1Br)Cl 34a_100000752454_200009817547 [0,2,0,0,0,0|1,0,0]=3 5692 B12R1.69 O=CCNc1ccc(cc1Br)F 34a_100000738039_200009817547 [0,2,0,0,0,0|1,0,0]=3 5693 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,0]=3 5694 B12R1.69 O=CCNc1ccc(cc1Cl)Br 34a_100000211467_200009817547 [0,2,0,0,0,0|1,0,0]=3 5695 B12R1.69 O=CCNc1ccc(cc1Cl)Cl 34a_100000185861_200009817547 [0,2,0,0,0,0|1,0,0]=3 5696 B12R1.69 O=CCNc1ccc(cc1Cl)F 34a_100000212003_200009817547 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.69 O=CCNc1ccc(cc1Cl)I 34a_100011218065_200009817547 [0,2,0,0,0,0|1,0,0]=3 5698 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,0]=3 5699 B12R1.69 O=CCNc1ccc(cc1F)Br 34a_100000210722_200009817547 [0,2,0,0,0,0|1,0,0]=3 5700 B12R1.69 O=CCNc1ccc(cc1F)Cl 34a_100000211020_200009817547 [0,2,0,0,0,0|1,0,0]=3 5701 B12R1.69 O=CCNc1ccc(cc1F)F 34a_100000210720_200009817547 [0,2,0,0,0,0|1,0,0]=3 5702 B12R1.69 O=CCNc1ccc(cc1F)I 34a_100011215594_200009817547 [0,2,0,0,0,0|1,0,0]=3 5703 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,0]=3 5704 B12R1.69 O=CCNc1ccc(cc1I)Br 34a_100000187925_200009817547 [0,2,0,0,0,0|1,0,0]=3 5705 B12R1.69 O=CCNc1ccc(cc1I)Cl 34a_100000761889_200009817547 [0,2,0,0,0,0|1,0,0]=3 5706 B12R1.69 O=CCNc1ccc(cc1I)F 34a_100000760547_200009817547 [0,2,0,0,0,0|1,0,0]=3 5707 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,0]=3 5708 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [0,2,0,0,0,0|1,0,0]=3 5709 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [0,2,0,0,0,0|1,0,0]=3 5710 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [0,2,0,0,0,0|1,0,0]=3 5711 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [0,2,0,0,0,0|1,0,0]=3 5712 B12R1.69 O=CCOc1ccc(cc1Br)Br 34a_100000188717_200009817547 [0,2,0,0,0,0|1,0,0]=3 5713 B12R1.69 O=CCOc1ccc(cc1Br)Br 7a_100000188717_200015260668 [0,2,0,0,0,0|1,0,0]=3 5714 B12R1.69 O=CCOc1ccc(cc1Br)Cl 34a_100000211998_200009817547 [0,2,0,0,0,0|1,0,0]=3 5715 B12R1.69 O=CCOc1ccc(cc1Br)Cl 7a_100000211998_200015260668 [0,2,0,0,0,0|1,0,0]=3 5716 B12R1.69 O=CCOc1ccc(cc1Br)F 34a_100000211999_200009817547 [0,2,0,0,0,0|1,0,0]=3 5717 B12R1.69 O=CCOc1ccc(cc1Br)F 7a_100000211999_200015260668 [0,2,0,0,0,0|1,0,0]=3 5718 B12R1.69 O=CCOc1ccc(cc1Br)I 34a_100012361655_200009817547 [0,2,0,0,0,0|1,0,0]=3 5719 B12R1.69 O=CCOc1ccc(cc1Br)I 7a_100012361655_200015260668 [0,2,0,0,0,0|1,0,0]=3 5720 B12R1.69 O=CCOc1ccc(cc1Cl)Br 34a_100000186472_200009817547 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.69 O=CCOc1ccc(cc1Cl)Br 7a_100000186472_200015260668 [0,2,0,0,0,0|1,0,0]=3 5722 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 34a_100015191787_200009817547 [0,2,0,0,0,0|1,0,0]=3 5723 B12R1.69 O=CCOc1ccc(cc1Cl)Cl 7a_100015191787_200015260668 [0,2,0,0,0,0|1,0,0]=3 5724 B12R1.69 O=CCOc1ccc(cc1Cl)F 34a_100000212004_200009817547 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.69 O=CCOc1ccc(cc1Cl)F 7a_100000212004_200015260668 [0,2,0,0,0,0|1,0,0]=3 5726 B12R1.69 O=CCOc1ccc(cc1Cl)I 34a_100012360047_200009817547 [0,2,0,0,0,0|1,0,0]=3 5727 B12R1.69 O=CCOc1ccc(cc1Cl)I 7a_100012360047_200015260668 [0,2,0,0,0,0|1,0,0]=3 5728 B12R1.69 O=CCOc1ccc(cc1F)Br 34a_100000185481_200009817547 [0,2,0,0,0,0|1,0,0]=3 5729 B12R1.69 O=CCOc1ccc(cc1F)Br 7a_100000185481_200015260668 [0,2,0,0,0,0|1,0,0]=3 5730 B12R1.69 O=CCOc1ccc(cc1F)Cl 34a_100000230166_200009817547 [0,2,0,0,0,0|1,0,0]=3 5731 B12R1.69 O=CCOc1ccc(cc1F)Cl 7a_100000230166_200015260668 [0,2,0,0,0,0|1,0,0]=3 5732 B12R1.69 O=CCOc1ccc(cc1F)F 34a_100000230127_200009817547 [0,2,0,0,0,0|1,0,0]=3 5733 B12R1.69 O=CCOc1ccc(cc1F)F 7a_100000230127_200015260668 [0,2,0,0,0,0|1,0,0]=3 5734 B12R1.69 O=CCOc1ccc(cc1F)I 34a_100011356965_200009817547 [0,2,0,0,0,0|1,0,0]=3 5735 B12R1.69 O=CCOc1ccc(cc1F)I 7a_100011356965_200015260668 [0,2,0,0,0,0|1,0,0]=3 5736 B12R1.69 O=CCOc1ccc(cc1I)Br 34a_100012355227_200009817547 [0,2,0,0,0,0|1,0,0]=3 5737 B12R1.69 O=CCOc1ccc(cc1I)Br 7a_100012355227_200015260668 [0,2,0,0,0,0|1,0,0]=3 5738 B12R1.69 O=CCOc1ccc(cc1I)Cl 34a_100011356953_200009817547 [0,2,0,0,0,0|1,0,0]=3 5739 B12R1.69 O=CCOc1ccc(cc1I)Cl 7a_100011356953_200015260668 [0,2,0,0,0,0|1,0,0]=3 5740 B12R1.69 O=CCOc1ccc(cc1I)F 34a_100012355409_200009817547 [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.69 O=CCOc1ccc(cc1I)F 7a_100012355409_200015260668 [0,2,0,0,0,0|1,0,0]=3 5742 B12R1.69 O=CCOc1ccc(cc1I)I 7a_100010001573_200015260668 [0,2,0,0,0,0|1,0,0]=3 5743 B12R1.69 O=CCOc1ccc(nc1Br)Br 34a_100009999766_200009817547 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.69 O=CCOc1ccc(nc1Br)Br 7a_100009999766_200015260668 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.69 O=CCOc1ccc(nc1Br)Cl 34a_100010219353_200009817547 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.69 O=CCOc1ccc(nc1Br)Cl 7a_100010219353_200015260668 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.69 O=CCOc1ccc(nc1Br)F 34a_100009887730_200009817547 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.69 O=CCOc1ccc(nc1Br)F 7a_100009887730_200015260668 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.69 O=CCOc1ccc(nc1Br)I 34a_100000725334_200009817547 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.69 O=CCOc1ccc(nc1Br)I 7a_100000725334_200015260668 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.69 O=CCOc1ccc(nc1Cl)Br 34a_100010246206_200009817547 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.69 O=CCOc1ccc(nc1Cl)Br 7a_100010246206_200015260668 [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 34a_100000101165_200009817547 [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.69 O=CCOc1ccc(nc1Cl)Cl 7a_100000101165_200015260668 [0,2,0,0,0,0|2,0,0]=4 5755 B12R1.69 O=CCOc1ccc(nc1Cl)I 34a_100000721234_200009817547 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.69 O=CCOc1ccc(nc1Cl)I 7a_100000721234_200015260668 [0,2,0,0,0,0|2,0,0]=4 5757 B12R1.69 O=CCOc1ccc(nc1F)Br 34a_100009819667_200009817547 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.69 O=CCOc1ccc(nc1F)Br 7a_100009819667_200015260668 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.69 O=CCOc1ccc(nc1F)Cl 34a_100009880201_200009817547 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.69 O=CCOc1ccc(nc1F)Cl 7a_100009880201_200015260668 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.69 O=CCOc1ccc(nc1F)F 34a_100000101184_200009817547 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.69 O=CCOc1ccc(nc1F)F 7a_100000101184_200015260668 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.69 O=CCOc1ccc(nc1I)Br 34a_100010253912_200009817547 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.69 O=CCOc1ccc(nc1I)Br 7a_100010253912_200015260668 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.69 O=CCOc1ccc(nc1I)Cl 34a_100000696390_200009817547 [0,2,0,0,0,0|2,0,0]=4 5766 B12R1.69 O=CCOc1ccc(nc1I)Cl 7a_100000696390_200015260668 [0,2,0,0,0,0|2,0,0]=4 5767 B12R1.69 O=CCOc1ccc(nc1I)F 34a_100010382442_200009817547 [0,2,0,0,0,0|2,0,0]=4 5768 B12R1.69 O=CCOc1ccc(nc1I)F 7a_100010382442_200015260668 [0,2,0,0,0,0|2,0,0]=4 5769 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 34a_100009868576_200009817547 [0,2,0,0,0,0|2,0,0]=4 5770 B12R1.69 O=CCOc1cnc(cc1Cl)Cl 7a_100009868576_200015260668 [0,2,0,0,0,0|2,0,0]=4 5771 B12R1.69 O=CCOc1cnc(cc1F)F 34a_100009885687_200009817547 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.69 O=CCOc1cnc(cc1F)F 7a_100009885687_200015260668 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.69 O=CCOc1cnc(cc1I)Cl 34a_100000698892_200009817547 [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.69 O=CCOc1cnc(cc1I)Cl 7a_100000698892_200015260668 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.69 O=CCOc1ncc(cc1Br)Br 34a_100000701035_200009817547 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.69 O=CCOc1ncc(cc1Cl)Br 34a_100012339560_200009817547 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.69 O=CCOc1ncc(cc1Cl)F 34a_100009847679_200009817547 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.69 O=CCOc1ncc(cc1F)Cl 34a_100011998252_200009817547 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.69 O=CCOc1ncc(cc1F)F 34a_100012025737_200009817547 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.69 O=CCSc1c[nH]c(=O)cc1F 62a_100015631685_200015260668 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.69 O=CCSc1c[nH]c(=O)cc1F 62a_200015260668_100015631685 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.69 O=CCSc1ccc(c[n+]1[O-])F 62a_100009817261_200015260668 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.69 O=CCSc1ccc(c[n+]1[O-])F 62a_200015260668_100009817261 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_100011484698_200015260668 [0,2,0,0,0,0|1,0,0]=3 5785 B12R1.69 O=CCSc1ccc(cc1Br)Br 62a_200015260668_100011484698 [0,2,0,0,0,0|1,0,0]=3 5786 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_100011219703_200015260668 [0,2,0,0,0,0|1,0,0]=3 5787 B12R1.69 O=CCSc1ccc(cc1Br)Cl 62a_200015260668_100011219703 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_100011217111_200015260668 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.69 O=CCSc1ccc(cc1Br)F 62a_200015260668_100011217111 [0,2,0,0,0,0|1,0,0]=3 5790 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [0,2,0,0,0,0|1,0,0]=3 5791 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_100011216062_200015260668 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.69 O=CCSc1ccc(cc1Cl)Br 62a_200015260668_100011216062 [0,2,0,0,0,0|1,0,0]=3 5794 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_100000699841_200015260668 [0,2,0,0,0,0|1,0,0]=3 5795 B12R1.69 O=CCSc1ccc(cc1Cl)Cl 62a_200015260668_100000699841 [0,2,0,0,0,0|1,0,0]=3 5796 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_100000733362_200015260668 [0,2,0,0,0,0|1,0,0]=3 5797 B12R1.69 O=CCSc1ccc(cc1Cl)F 62a_200015260668_100000733362 [0,2,0,0,0,0|1,0,0]=3 5798 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [0,2,0,0,0,0|1,0,0]=3 5799 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [0,2,0,0,0,0|1,0,0]=3 5800 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_100009814013_200015260668 [0,2,0,0,0,0|1,0,0]=3 5801 B12R1.69 O=CCSc1ccc(cc1F)Br 62a_200015260668_100009814013 [0,2,0,0,0,0|1,0,0]=3 5802 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_100011216042_200015260668 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.69 O=CCSc1ccc(cc1F)Cl 62a_200015260668_100011216042 [0,2,0,0,0,0|1,0,0]=3 5804 B12R1.69 O=CCSc1ccc(cc1F)F 62a_100000750030_200015260668 [0,2,0,0,0,0|1,0,0]=3 5805 B12R1.69 O=CCSc1ccc(cc1F)F 62a_200015260668_100000750030 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [0,2,0,0,0,0|1,0,0]=3 5813 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.69 O=CCSc1ccc(nc1Cl)Br 62a_100010246183_200015260668 [0,2,0,0,0,0|2,0,0]=4 5816 B12R1.69 O=CCSc1ccc(nc1Cl)Br 62a_200015260668_100010246183 [0,2,0,0,0,0|2,0,0]=4 5817 B12R1.69 O=CCSc1ccc(nc1Cl)Cl 62a_200015260668_100000043682 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.69 O=CCSc1ccc(nc1F)Cl 62a_100010168078_200015260668 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.69 O=CCSc1ccc(nc1F)Cl 62a_200015260668_100010168078 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.69 O=CCSc1ccc(nc1F)F 62a_100000070099_200015260668 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.69 O=CCSc1ccc(nc1F)F 62a_200015260668_100000070099 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.69 O=CCSc1ccc(nc1F)O 62a_100009879308_200015260668 [0,2,0,0,0,0|2,0,0]=4 5823 B12R1.69 O=CCSc1ccc(nc1F)O 62a_200015260668_100009879308 [0,2,0,0,0,0|2,0,0]=4 5824 B12R1.69 O=CCSc1cnc(cc1Br)F 62a_100015451857_200015260668 [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.69 O=CCSc1cnc(cc1Br)F 62a_200015260668_100015451857 [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.69 O=CCSc1cnc(cc1Cl)Br 62a_100010381092_200015260668 [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.69 O=CCSc1cnc(cc1Cl)Br 62a_200015260668_100010381092 [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.69 O=CCSc1cnc(cc1Cl)Cl 62a_100010200927_200015260668 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.69 O=CCSc1cnc(cc1Cl)Cl 62a_200015260668_100010200927 [0,2,0,0,0,0|2,0,0]=4 5830 B12R1.69 O=CCSc1cnc(cc1F)Cl 62a_100010128100_200015260668 [0,2,0,0,0,0|2,0,0]=4 5831 B12R1.69 O=CCSc1cnc(cc1F)Cl 62a_200015260668_100010128100 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.69 O=CCSc1ncc(cc1Br)Cl 62a_100012154958_200015260668 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.69 O=CCSc1ncc(cc1Br)Cl 62a_200015260668_100012154958 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.69 O=CCSc1ncc(cc1F)Br 62a_100012348576_200015260668 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.69 O=CCSc1ncc(cc1F)Br 62a_200015260668_100012348576 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.69 O=CCSc1ncc(cc1F)Cl 62a_100012348686_200015260668 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.69 O=CCSc1ncc(cc1F)Cl 62a_200015260668_100012348686 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.69 O=CCSc1ncc(cc1F)F 62a_100011219543_200015260668 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.69 O=CCSc1ncc(cc1F)F 62a_200015260668_100011219543 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.69 O=CCSc1ncc(cc1F)O 62a_200015260668_100000063512 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.69 O=CCSc1ncc(cc1O)Br 62a_100010210634_200015260668 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.69 O=CCSc1ncc(cc1O)Br 62a_200015260668_100010210634 [0,2,0,0,0,0|2,0,0]=4 5843 B12R1.69 O=CCSc1ncc(cc1O)Cl 62a_100010233512_200015260668 [0,2,0,0,0,0|2,0,0]=4 5844 B12R1.69 O=CCSc1ncc(cc1O)Cl 62a_200015260668_100010233512 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.69 O=CCSc1ncc(cc1O)F 62a_100009820119_200015260668 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.69 O=CCSc1ncc(cc1O)F 62a_200015260668_100000079967 [0,2,0,0,0,0|2,0,0]=4 5847 B12R1.71 C#CCNc1ccc(cc1)CC 2230a_100000211069_100000038162 [0,2,0,0,0,0|1,0,1]=4 5848 B12R1.71 C#CCNc1ccc(cc1)CC 34a_100000211069_100000184674 [0,2,0,0,0,0|1,0,1]=4 5849 B12R1.71 C#CCNc1ccc(cc1)CO 2230a_100011215238_100000038162 [0,2,0,0,0,0|1,0,1]=4 5850 B12R1.71 C#CCNc1ccc(cc1)CO 34a_100011215238_100000184674 [0,2,0,0,0,0|1,0,1]=4 5851 B12R1.71 C#CCNc1ccc(cc1)OC 34a_100000184247_100000184674 [0,2,0,0,0,0|1,0,1]=4 5852 B12R1.71 C#CCNc1ccc(cc1)SC 34a_100000212337_100000184674 [0,2,0,0,0,0|1,0,1]=4 5853 B12R1.71 C#CCOc1ccc(cc1)CC 34a_100000211359_100000184674 [0,2,0,0,0,0|1,0,1]=4 5854 B12R1.71 C#CCOc1ccc(cc1)CC 7a_100000211359_100000038162 [0,2,0,0,0,0|1,0,1]=4 5855 B12R1.71 C#CCOc1ccc(cc1)CN 34a_100000185549_100000184674 [0,2,0,0,0,0|1,0,1]=4 5856 B12R1.71 C#CCOc1ccc(cc1)CO 34a_100000211755_100000184674 [0,2,0,0,0,0|1,0,1]=4 5857 B12R1.71 C#CCOc1ccc(cc1)NC 2230a_100000753246_200000210301 [0,2,0,0,0,0|1,0,1]=4 5858 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000182112_100000184674 [0,2,0,0,0,0|1,0,1]=4 5859 B12R1.71 C#CCOc1ccc(cc1)NC 34a_100000753246_200000210301 [0,2,0,0,0,0|1,0,1]=4 5860 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 2230a_100000753246_200025704644 [0,2,0,0,0,0|1,0,1]=4 5861 B12R1.71 C#CCOc1ccc(cc1)N[13CH3] 34a_100000753246_200025704644 [0,2,0,0,0,0|1,0,1]=4 5862 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,2,0,0,0,0|1,0,1]=4 5863 B12R1.71 C#CCOc1ccc(cc1)SC 34a_100000211864_100000184674 [0,2,0,0,0,0|1,0,1]=4 5864 B12R1.71 C#CCSc1ccc(cc1)CC 62a_100000038162_100011215824 [0,2,0,0,0,0|1,0,1]=4 5865 B12R1.71 C#CCSc1ccc(cc1)CF 62a_100000038162_100010268989 [0,2,0,0,0,0|1,0,1]=4 5866 B12R1.71 C#CCSc1ccc(cc1)CN 62a_100000038162_100016989417 [0,2,0,0,0,0|1,0,1]=4 5867 B12R1.71 C#CCSc1ccc(cc1)CO 62a_100000038162_100000690907 [0,2,0,0,0,0|1,0,1]=4 5868 B12R1.71 C#CCSc1ccc(cc1)NC 62a_100000038162_100000743151 [0,2,0,0,0,0|1,0,1]=4 5869 B12R1.71 C#CCSc1ccc(cc1)OC 62a_100000038162_100000171711 [0,2,0,0,0,0|1,0,1]=4 5870 B12R1.71 C#CCSc1ccc(cc1)SC 62a_100000038162_100011263217 [0,2,0,0,0,0|1,0,1]=4 5871 B12R1.71 C#Cc1ccc(cc1)NCC=C 34a_100011215031_100015514636 [0,2,0,0,0,0|1,0,1]=4 5872 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,2,0,0,0,0|0,0,1]=3 5873 B12R1.71 C#Cc1ccc(nc1)OCC=O 34a_200009884252_200009817547 [0,2,0,0,0,0|1,0,1]=4 5874 B12R1.71 C=CCNc1ccc(cc1)C#N 34a_100000185469_100015514636 [0,2,0,0,0,0|1,0,1]=4 5875 B12R1.71 C=CCNc1ccc(cc1)C=C 34a_100011218248_100015514636 [0,2,0,0,0,0|1,0,1]=4 5876 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,2,0,0,0,0|1,0,0]=3 5877 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,2,0,0,0,0|1,0,0]=3 5878 B12R1.71 C=CCNc1ccc(cc1)CO 2230a_100011215238_100000210623 [0,2,0,0,0,0|1,0,0]=3 5879 B12R1.71 C=CCNc1ccc(cc1)CO 34a_100011215238_100015514636 [0,2,0,0,0,0|1,0,0]=3 5880 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,2,0,0,0,0|1,0,0]=3 5881 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,2,0,0,0,0|1,0,0]=3 5882 B12R1.71 C=CCNc1ccc(cn1)SC 27a_100020586998_100009820866 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.71 C=CCOc1ccc(cc1)C#N 34a_100000210344_100015514636 [0,2,0,0,0,0|1,0,1]=4 5884 B12R1.71 C=CCOc1ccc(cc1)C#N 7a_100000210344_100015514636 [0,2,0,0,0,0|1,0,1]=4 5885 B12R1.71 C=CCOc1ccc(cc1)C=C 271570a_100011290941_100000172055 [0,2,0,0,0,0|1,0,1]=4 5886 B12R1.71 C=CCOc1ccc(cc1)C=C 34a_100000189437_100015514636 [0,2,0,0,0,0|1,0,1]=4 5887 B12R1.71 C=CCOc1ccc(cc1)C=C 7a_100000189437_100015514636 [0,2,0,0,0,0|1,0,1]=4 5888 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,2,0,0,0,0|1,0,0]=3 5889 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,2,0,0,0,0|1,0,0]=3 5890 B12R1.71 C=CCOc1ccc(cc1)CN 34a_100000185549_100015514636 [0,2,0,0,0,0|1,0,0]=3 5891 B12R1.71 C=CCOc1ccc(cc1)CO 34a_100000211755_100015514636 [0,2,0,0,0,0|1,0,0]=3 5892 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,2,0,0,0,0|1,0,0]=3 5893 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,2,0,0,0,0|1,0,0]=3 5894 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,2,0,0,0,0|1,0,0]=3 5895 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,2,0,0,0,0|1,0,0]=3 5896 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,2,0,0,0,0|1,0,0]=3 5897 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,2,0,0,0,0|1,0,0]=3 5898 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,2,0,0,0,0|1,0,0]=3 5899 B12R1.71 C=CCOc1ccc(cn1)CN 34a_100000757128_100015514636 [0,2,0,0,0,0|2,0,0]=4 5900 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,2,0,0,0,0|2,0,0]=4 5901 B12R1.71 C=CCOc1ccc(nc1)CN 34a_100020605196_100015514636 [0,2,0,0,0,0|2,0,0]=4 5902 B12R1.71 C=CCOc1ccc(nc1)CO 34a_103436540053_100015514636 [0,2,0,0,0,0|2,0,0]=4 5903 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.71 C=CCSc1ccc(cc1)C#N 62a_100000210623_100000184291 [0,2,0,0,0,0|1,0,1]=4 5905 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000210623_100000748128 [0,2,0,0,0,0|1,0,1]=4 5906 B12R1.71 C=CCSc1ccc(cc1)C=C 62a_100000748128_100000210623 [0,2,0,0,0,0|1,0,1]=4 5907 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000188517_100000210623 [0,2,0,0,0,0|1,0,1]=4 5908 B12R1.71 C=CCSc1ccc(cc1)C=O 62a_100000210623_100000188517 [0,2,0,0,0,0|1,0,1]=4 5909 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,2,0,0,0,0|1,0,0]=3 5910 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,2,0,0,0,0|1,0,0]=3 5911 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100000210623_100010268989 [0,2,0,0,0,0|1,0,0]=3 5912 B12R1.71 C=CCSc1ccc(cc1)CF 62a_100010268989_100000210623 [0,2,0,0,0,0|1,0,0]=3 5913 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100000210623_100016989417 [0,2,0,0,0,0|1,0,0]=3 5914 B12R1.71 C=CCSc1ccc(cc1)CN 62a_100016989417_100000210623 [0,2,0,0,0,0|1,0,0]=3 5915 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000210623_100000690907 [0,2,0,0,0,0|1,0,0]=3 5916 B12R1.71 C=CCSc1ccc(cc1)CO 62a_100000690907_100000210623 [0,2,0,0,0,0|1,0,0]=3 5917 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,2,0,0,0,0|1,0,0]=3 5918 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,2,0,0,0,0|1,0,0]=3 5919 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100000210623_100016988836 [0,2,0,0,0,0|2,0,0]=4 5920 B12R1.71 C=CCSc1ccc(cc1)NN 62a_100016988836_100000210623 [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,2,0,0,0,0|1,0,0]=3 5922 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,2,0,0,0,0|1,0,0]=3 5923 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,2,0,0,0,0|1,0,0]=3 5924 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100000210623_100009843584 [0,2,0,0,0,0|2,0,0]=4 5925 B12R1.71 C=CCSc1ccc(cn1)CC 62a_100009843584_100000210623 [0,2,0,0,0,0|2,0,0]=4 5926 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000210623_100000735879 [0,2,0,0,0,0|2,0,0]=4 5927 B12R1.71 C=CCSc1ccc(cn1)CN 62a_100000735879_100000210623 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100000210623_100009816760 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.71 C=CCSc1ccc(cn1)CO 62a_100009816760_100000210623 [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000210623_100000764248 [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.71 C=CCSc1ccc(cn1)NC 62a_100000764248_100000210623 [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100000210623_100009820866 [0,2,0,0,0,0|2,0,0]=4 5935 B12R1.71 C=CCSc1ccc(cn1)SC 62a_100009820866_100000210623 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100000210623_100009820025 [0,2,0,0,0,0|2,0,0]=4 5937 B12R1.71 C=CCSc1ccc(nc1)CC 62a_100009820025_100000210623 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100000210623_100015188789 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.71 C=CCSc1ccc(nc1)CN 62a_100015188789_100000210623 [0,2,0,0,0,0|2,0,0]=4 5940 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000210623_100000754261 [0,2,0,0,0,0|2,0,0]=4 5941 B12R1.71 C=CCSc1ccc(nc1)CO 62a_100000754261_100000210623 [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000210623_100000741341 [0,2,0,0,0,0|2,0,0]=4 5943 B12R1.71 C=CCSc1ccc(nc1)NC 62a_100000741341_100000210623 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100000210623_100011408404 [0,2,0,0,0,0|2,0,0]=4 5947 B12R1.71 C=CCSc1ccc(nc1)SC 62a_100011408404_100000210623 [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|0,0,1]=3 5949 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,2,0,0,0,0|0,0,1]=3 5950 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,2,0,0,0,0|0,0,1]=3 5951 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,2,0,0,0,0|0,0,1]=3 5952 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,2,0,0,0,0|0,0,1]=3 5953 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,2,0,0,0,0|0,0,1]=3 5954 B12R1.71 C=Cc1ccc(nc1)SCC=O 62a_103436540071_200015260668 [0,2,0,0,0,0|1,0,1]=4 5955 B12R1.71 C=Cc1ccc(nc1)SCC=O 62a_200015260668_103436540071 [0,2,0,0,0,0|1,0,1]=4 5956 B12R1.71 CC=NNc1ccc(cc1)CC 4a_100015204395_200000210099 [0,2,0,0,0,0|2,0,0]=4 5957 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,2,0,0,0,0|2,0,0]=4 5958 B12R1.71 CC=NNc1ccc(cc1)SC 4a_100000006515_200000210099 [0,2,0,0,0,0|2,0,0]=4 5959 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,2,0,0,0,0|1,0,1]=4 5960 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,2,0,0,0,0|1,0,1]=4 5961 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,2,0,0,0,0|1,0,1]=4 5962 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|1,0,1]=4 5963 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,2,0,0,0,0|1,0,1]=4 5964 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,2,0,0,0,0|1,0,1]=4 5965 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,2,0,0,0,0|1,0,1]=4 5966 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,2,0,0,0,0|1,0,1]=4 5967 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,2,0,0,0,0|1,0,1]=4 5968 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|1,0,1]=4 5969 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|1,0,1]=4 5970 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|1,0,1]=4 5971 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|1,0,1]=4 5972 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|1,0,1]=4 5973 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,2,0,0,0,0|1,0,1]=4 5974 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,2,0,0,0,0|1,0,1]=4 5975 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,2,0,0,0,0|1,0,1]=4 5976 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,2,0,0,0,0|1,0,1]=4 5977 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,2,0,0,0,0|1,0,1]=4 5978 B12R1.71 CCCNc1ccc(cc1)CC 2230a_100000211069_100000210303 [0,2,0,0,0,0|1,0,1]=4 5979 B12R1.71 CCCNc1ccc(cc1)CC 34a_100000211069_100000210303 [0,2,0,0,0,0|1,0,1]=4 5980 B12R1.71 CCCNc1ccc(cc1)CO 2230a_100011215238_100000210303 [0,2,0,0,0,0|1,0,1]=4 5981 B12R1.71 CCCNc1ccc(cc1)CO 34a_100011215238_100000210303 [0,2,0,0,0,0|1,0,1]=4 5982 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,2,0,0,0,0|1,0,1]=4 5983 B12R1.71 CCCNc1ccc(cc1)SC 34a_100000212337_100000210303 [0,2,0,0,0,0|1,0,1]=4 5984 B12R1.71 CCCOc1ccc(cc1)CC 34a_100000211359_100000210303 [0,2,0,0,0,0|1,0,1]=4 5985 B12R1.71 CCCOc1ccc(cc1)CC 7a_100000211359_100000210303 [0,2,0,0,0,0|1,0,1]=4 5986 B12R1.71 CCCOc1ccc(cc1)CN 34a_100000185549_100000210303 [0,2,0,0,0,0|1,0,1]=4 5987 B12R1.71 CCCOc1ccc(cc1)CO 34a_100000211755_100000210303 [0,2,0,0,0,0|1,0,1]=4 5988 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000182112_100000210303 [0,2,0,0,0,0|1,0,1]=4 5989 B12R1.71 CCCOc1ccc(cc1)NC 34a_100000748631_200000210301 [0,2,0,0,0,0|1,0,1]=4 5990 B12R1.71 CCCOc1ccc(cc1)N[13CH3] 34a_100000748631_200025704644 [0,2,0,0,0,0|1,0,1]=4 5991 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,2,0,0,0,0|1,0,1]=4 5992 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,2,0,0,0,0|1,0,1]=4 5993 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,2,0,0,0,0|1,0,1]=4 5994 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,2,0,0,0,0|1,0,1]=4 5995 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,2,0,0,0,0|1,0,1]=4 5996 B12R1.71 CCCOc1ccc(cc1)SC 34a_100000211864_100000210303 [0,2,0,0,0,0|1,0,1]=4 5997 B12R1.71 CCCOc1ccc(cc1)SC 62a_100000169948_200000210301 [0,2,0,0,0,0|1,0,1]=4 5998 B12R1.71 CCCOc1ccc(cc1)SC 62a_200000210301_100000169948 [0,2,0,0,0,0|1,0,1]=4 5999 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_100000169948_200025704644 [0,2,0,0,0,0|1,0,1]=4 6000 B12R1.71 CCCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000169948 [0,2,0,0,0,0|1,0,1]=4 6001 B12R1.71 CCCSc1ccc(cc1)CC 62a_100000210303_100011215824 [0,2,0,0,0,0|1,0,1]=4 6002 B12R1.71 CCCSc1ccc(cc1)CC 62a_100011215824_100000210303 [0,2,0,0,0,0|1,0,1]=4 6003 B12R1.71 CCCSc1ccc(cc1)CF 62a_100000210303_100010268989 [0,2,0,0,0,0|1,0,1]=4 6004 B12R1.71 CCCSc1ccc(cc1)CF 62a_100010268989_100000210303 [0,2,0,0,0,0|1,0,1]=4 6005 B12R1.71 CCCSc1ccc(cc1)CN 62a_100000210303_100016989417 [0,2,0,0,0,0|1,0,1]=4 6006 B12R1.71 CCCSc1ccc(cc1)CN 62a_100016989417_100000210303 [0,2,0,0,0,0|1,0,1]=4 6007 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000210303_100000690907 [0,2,0,0,0,0|1,0,1]=4 6008 B12R1.71 CCCSc1ccc(cc1)CO 62a_100000690907_100000210303 [0,2,0,0,0,0|1,0,1]=4 6009 B12R1.71 CCCSc1ccc(cc1)NC 34a_100015183887_200000210301 [0,2,0,0,0,0|1,0,1]=4 6010 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000210303_100000743151 [0,2,0,0,0,0|1,0,1]=4 6011 B12R1.71 CCCSc1ccc(cc1)NC 62a_100000743151_100000210303 [0,2,0,0,0,0|1,0,1]=4 6012 B12R1.71 CCCSc1ccc(cc1)NC 7a_100015183887_200000210301 [0,2,0,0,0,0|1,0,1]=4 6013 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 34a_100015183887_200025704644 [0,2,0,0,0,0|1,0,1]=4 6014 B12R1.71 CCCSc1ccc(cc1)N[13CH3] 7a_100015183887_200025704644 [0,2,0,0,0,0|1,0,1]=4 6015 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,2,0,0,0,0|1,0,1]=4 6016 B12R1.71 CCCSc1ccc(cc1)SC 62a_100000210303_100011263217 [0,2,0,0,0,0|1,0,1]=4 6017 B12R1.71 CCCSc1ccc(cc1)SC 62a_100011263217_100000210303 [0,2,0,0,0,0|1,0,1]=4 6018 B12R1.71 CCCSc1ccc(cc1)SC 62a_200000210301_200009811899 [0,2,0,0,0,0|1,0,1]=4 6019 B12R1.71 CCCSc1ccc(cc1)SC 62a_200009811899_200000210301 [0,2,0,0,0,0|1,0,1]=4 6020 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200009811899_200025704644 [0,2,0,0,0,0|1,0,1]=4 6021 B12R1.71 CCCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811899 [0,2,0,0,0,0|1,0,1]=4 6022 B12R1.71 CCNCc1ccc(cc1)CC 207a_100015525214_100000211036 [0,2,0,0,0,0|1,0,1]=4 6023 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100000721222_100000210202 [0,2,0,0,0,0|1,0,1]=4 6024 B12R1.71 CCNCc1ccc(cc1)CC 2230a_100015525214_100000747183 [0,2,0,0,0,0|1,0,1]=4 6025 B12R1.71 CCNCc1ccc(cc1)CC 270004a_100015525214_100000211036 [0,2,0,0,0,0|1,0,1]=4 6026 B12R1.71 CCNCc1ccc(cc1)CC 34a_100000721222_100000210202 [0,2,0,0,0,0|1,0,1]=4 6027 B12R1.71 CCNCc1ccc(cc1)CO 207a_100015525214_100009832023 [0,2,0,0,0,0|1,0,1]=4 6028 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015189231_100000210202 [0,2,0,0,0,0|1,0,1]=4 6029 B12R1.71 CCNCc1ccc(cc1)CO 2230a_100015525214_100000067286 [0,2,0,0,0,0|1,0,1]=4 6030 B12R1.71 CCNCc1ccc(cc1)CO 270004a_100015525214_100009832023 [0,2,0,0,0,0|1,0,1]=4 6031 B12R1.71 CCNCc1ccc(cc1)CO 34a_100015189231_100000210202 [0,2,0,0,0,0|1,0,1]=4 6032 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,2,0,0,0,0|1,0,1]=4 6033 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,2,0,0,0,0|1,0,1]=4 6034 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,2,0,0,0,0|1,0,1]=4 6035 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,2,0,0,0,0|1,0,1]=4 6036 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,2,0,0,0,0|1,0,1]=4 6037 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,2,0,0,0,0|1,0,1]=4 6038 B12R1.71 CCNCc1ccc(cc1)SC 207a_100015525214_100000211154 [0,2,0,0,0,0|1,0,1]=4 6039 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100000174980_100000210202 [0,2,0,0,0,0|1,0,1]=4 6040 B12R1.71 CCNCc1ccc(cc1)SC 2230a_100015525214_100000181263 [0,2,0,0,0,0|1,0,1]=4 6041 B12R1.71 CCNCc1ccc(cc1)SC 270004a_100015525214_100000211154 [0,2,0,0,0,0|1,0,1]=4 6042 B12R1.71 CCNCc1ccc(cc1)SC 34a_100000174980_100000210202 [0,2,0,0,0,0|1,0,1]=4 6043 B12R1.71 CCNCc1ccc(cc1)SC 62a_100000187385_200000210301 [0,2,0,0,0,0|1,0,1]=4 6044 B12R1.71 CCNCc1ccc(cc1)SC 62a_200000210301_100000187385 [0,2,0,0,0,0|1,0,1]=4 6045 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_100000187385_200025704644 [0,2,0,0,0,0|1,0,1]=4 6046 B12R1.71 CCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000187385 [0,2,0,0,0,0|1,0,1]=4 6047 B12R1.71 CCOCc1ccc(cc1)CBr 34a_100012353999_100000210202 [0,2,0,0,0,0|1,0,1]=4 6048 B12R1.71 CCOCc1ccc(cc1)CBr 7a_100012353999_100000210202 [0,2,0,0,0,0|1,0,1]=4 6049 B12R1.71 CCOCc1ccc(cc1)CC 34a_100000702245_100000210202 [0,2,0,0,0,0|1,0,1]=4 6050 B12R1.71 CCOCc1ccc(cc1)CC 34a_100121572206_100000747183 [0,2,0,0,0,0|1,0,1]=4 6051 B12R1.71 CCOCc1ccc(cc1)CC 7a_100000702245_100000210202 [0,2,0,0,0,0|1,0,1]=4 6052 B12R1.71 CCOCc1ccc(cc1)CCl 34a_100000067286_100000210202 [0,2,0,0,0,0|1,0,1]=4 6053 B12R1.71 CCOCc1ccc(cc1)CCl 7a_100000067286_100000210202 [0,2,0,0,0,0|1,0,1]=4 6054 B12R1.71 CCOCc1ccc(cc1)CN 34a_100015189231_100000210202 [0,2,0,0,0,0|1,0,1]=4 6055 B12R1.71 CCOCc1ccc(cc1)CO 34a_100121572206_100000067286 [0,2,0,0,0,0|1,0,1]=4 6056 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,2,0,0,0,0|1,0,1]=4 6057 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,2,0,0,0,0|1,0,1]=4 6058 B12R1.71 CCOCc1ccc(cc1)SC 34a_100011215404_100000210202 [0,2,0,0,0,0|1,0,1]=4 6059 B12R1.71 CCOCc1ccc(cc1)SC 34a_100121572206_100000181263 [0,2,0,0,0,0|1,0,1]=4 6060 B12R1.71 CCOCc1ccc(cc1)SC 62a_100000758564_200000210301 [0,2,0,0,0,0|1,0,1]=4 6061 B12R1.71 CCOCc1ccc(cc1)SC 62a_200000210301_100000758564 [0,2,0,0,0,0|1,0,1]=4 6062 B12R1.71 CCOCc1ccc(cc1)SC 7a_100011215404_100000210202 [0,2,0,0,0,0|1,0,1]=4 6063 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_100000758564_200025704644 [0,2,0,0,0,0|1,0,1]=4 6064 B12R1.71 CCOCc1ccc(cc1)S[13CH3] 62a_200025704644_100000758564 [0,2,0,0,0,0|1,0,1]=4 6065 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000210202_100000747183 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.71 CCSCc1ccc(cc1)CC 62a_100000757233_100000210202 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000067286_100000210202 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.71 CCSCc1ccc(cc1)CO 62a_100000210202_100000067286 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,2,0,0,0,0|1,0,1]=4 6070 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000181263_100000210202 [0,2,0,0,0,0|1,0,1]=4 6071 B12R1.71 CCSCc1ccc(cc1)SC 62a_100000210202_100000181263 [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,2,0,0,0,0|1,0,1]=4 6073 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,2,0,0,0,0|1,0,1]=4 6074 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.71 CCc1ccc(cc1)CNCF 34a_100000721222_100015361967 [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.71 CCc1ccc(cc1)COCF 34a_100000702245_100015361967 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.71 CCc1ccc(cc1)COCF 7a_100000702245_100015361967 [0,2,0,0,0,0|1,0,1]=4 6079 B12R1.71 CCc1ccc(cc1)CSCF 62a_100000757233_100015361967 [0,2,0,0,0,0|1,0,1]=4 6080 B12R1.71 CCc1ccc(cc1)CSCF 62a_100015361967_100000747183 [0,2,0,0,0,0|1,0,1]=4 6081 B12R1.71 CCc1ccc(cc1)NCC#N 2230a_100000211069_100011215382 [0,2,0,0,0,0|1,0,1]=4 6082 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,2,0,0,0,0|0,0,0]=2 6083 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,2,0,0,0,0|0,0,0]=2 6084 B12R1.71 CCc1ccc(cc1)NCCF 2230a_100000211069_100011217306 [0,2,0,0,0,0|1,0,1]=4 6085 B12R1.71 CCc1ccc(cc1)NCCF 34a_100000211069_100011217306 [0,2,0,0,0,0|1,0,1]=4 6086 B12R1.71 CCc1ccc(cc1)NCCO 2230a_100000211069_100000211926 [0,2,0,0,0,0|0,0,2]=4 6087 B12R1.71 CCc1ccc(cc1)NCCO 34a_100000211069_100000211926 [0,2,0,0,0,0|0,0,2]=4 6088 B12R1.71 CCc1ccc(cc1)NCOC 2230a_100000211069_100000766300 [0,2,0,0,0,0|2,0,0]=4 6089 B12R1.71 CCc1ccc(cc1)NCSC 2230a_100000211069_100011218213 [0,2,0,0,0,0|2,0,0]=4 6090 B12R1.71 CCc1ccc(cc1)NCSC 34a_100000211069_100011218213 [0,2,0,0,0,0|2,0,0]=4 6091 B12R1.71 CCc1ccc(cc1)OCC#N 7a_100000211359_100011215382 [0,2,0,0,0,0|1,0,1]=4 6092 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,2,0,0,0,0|0,0,0]=2 6093 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,2,0,0,0,0|0,0,0]=2 6094 B12R1.71 CCc1ccc(cc1)OCCF 34a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 6095 B12R1.71 CCc1ccc(cc1)OCCF 7a_100000211359_100011217306 [0,2,0,0,0,0|1,0,1]=4 6096 B12R1.71 CCc1ccc(cc1)OCCO 34a_100000211359_100000211926 [0,2,0,0,0,0|0,0,2]=4 6097 B12R1.71 CCc1ccc(cc1)OCCO 7a_100000211359_100000211926 [0,2,0,0,0,0|0,0,2]=4 6098 B12R1.71 CCc1ccc(cc1)OCSC 34a_100000211359_100011218213 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215382_100011215824 [0,2,0,0,0,0|1,0,1]=4 6100 B12R1.71 CCc1ccc(cc1)SCC#N 62a_100011215824_100011215382 [0,2,0,0,0,0|1,0,1]=4 6101 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,2,0,0,0,0|0,0,0]=2 6102 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,2,0,0,0,0|0,0,0]=2 6103 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011215824_100011217306 [0,2,0,0,0,0|1,0,1]=4 6104 B12R1.71 CCc1ccc(cc1)SCCF 62a_100011217306_100011215824 [0,2,0,0,0,0|1,0,1]=4 6105 B12R1.71 CCc1ccc(cc1)SCCO 62a_100000211926_100011215824 [0,2,0,0,0,0|0,0,2]=4 6106 B12R1.71 CCc1ccc(cc1)SCCO 62a_100011215824_100000211926 [0,2,0,0,0,0|0,0,2]=4 6107 B12R1.71 CCc1ccc(cc1)SCOC 62a_100000766300_100011215824 [0,2,0,0,0,0|2,0,0]=4 6108 B12R1.71 CCc1ccc(cc1)SCOC 62a_100011215824_100000766300 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011215824_100011218213 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.71 CCc1ccc(cc1)SCSC 62a_100011218213_100011215824 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.71 CCc1ccc(cn1)SCC=O 62a_100009820025_200015260668 [0,2,0,0,0,0|1,0,0]=3 6112 B12R1.71 CCc1ccc(cn1)SCC=O 62a_200015260668_100009820025 [0,2,0,0,0,0|1,0,0]=3 6113 B12R1.71 CCc1ccc(nc1)SCC=O 62a_100009843584_200015260668 [0,2,0,0,0,0|1,0,0]=3 6114 B12R1.71 CCc1ccc(nc1)SCC=O 62a_200015260668_100009843584 [0,2,0,0,0,0|1,0,0]=3 6115 B12R1.71 CCc1cnc(nc1)SCC=O 62a_100000033099_200015260668 [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.71 CCc1cnc(nc1)SCC=O 62a_200015260668_100000033099 [0,2,0,0,0,0|2,0,0]=4 6117 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,2,0,0,0,0|1,0,1]=4 6118 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,2,0,0,0,0|1,0,1]=4 6119 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,2,0,0,0,0|1,0,1]=4 6122 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,2,0,0,0,0|1,0,1]=4 6123 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,2,0,0,0,0|1,0,1]=4 6124 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,2,0,0,0,0|1,0,1]=4 6125 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,2,0,0,0,0|1,0,1]=4 6126 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,2,0,0,0,0|1,0,1]=4 6127 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,2,0,0,0,0|1,0,1]=4 6128 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,2,0,0,0,0|1,0,1]=4 6129 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,2,0,0,0,0|0,1,1]=4 6130 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,2,0,0,0,0|0,1,1]=4 6131 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,2,0,0,0,0|0,1,1]=4 6132 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,2,0,0,0,0|0,0,0]=2 6133 B12R1.71 CNc1ccc(cc1)OCCF 34a_100000182112_100011217306 [0,2,0,0,0,0|1,0,1]=4 6134 B12R1.71 CNc1ccc(cc1)OCCF 34a_100012282086_200000210301 [0,2,0,0,0,0|1,0,1]=4 6135 B12R1.71 CNc1ccc(cc1)OCCO 2230a_100000754363_200000210301 [0,2,0,0,0,0|0,0,2]=4 6136 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000182112_100000211926 [0,2,0,0,0,0|0,0,2]=4 6137 B12R1.71 CNc1ccc(cc1)OCCO 34a_100000754363_200000210301 [0,2,0,0,0,0|0,0,2]=4 6138 B12R1.71 CNc1ccc(cc1)OCSC 34a_100000182112_100011218213 [0,2,0,0,0,0|2,0,0]=4 6139 B12R1.71 CNc1ccc(cc1)SCC#N 62a_100000743151_100011215382 [0,2,0,0,0,0|1,0,1]=4 6140 B12R1.71 CNc1ccc(cc1)SCC#N 62a_100011215382_100000743151 [0,2,0,0,0,0|1,0,1]=4 6141 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,2,0,0,0,0|0,0,0]=2 6142 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,2,0,0,0,0|0,0,0]=2 6143 B12R1.71 CNc1ccc(cc1)SCCF 62a_100000743151_100011217306 [0,2,0,0,0,0|1,0,1]=4 6144 B12R1.71 CNc1ccc(cc1)SCCF 62a_100011217306_100000743151 [0,2,0,0,0,0|1,0,1]=4 6145 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000211926_100000743151 [0,2,0,0,0,0|0,0,2]=4 6146 B12R1.71 CNc1ccc(cc1)SCCO 62a_100000743151_100000211926 [0,2,0,0,0,0|0,0,2]=4 6147 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000743151_100000766300 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.71 CNc1ccc(cc1)SCOC 62a_100000766300_100000743151 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.71 CNc1ccc(cc1)SCSC 62a_100000743151_100011218213 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.71 CNc1ccc(cc1)SCSC 62a_100011218213_100000743151 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.71 CNc1ccc(cn1)SCC=O 62a_100000741341_200015260668 [0,2,0,0,0,0|1,0,0]=3 6152 B12R1.71 CNc1ccc(cn1)SCC=O 62a_200015260668_100000741341 [0,2,0,0,0,0|1,0,0]=3 6153 B12R1.71 CNc1ccc(nc1)SCC=O 62a_100000764248_200015260668 [0,2,0,0,0,0|1,0,0]=3 6154 B12R1.71 CNc1ccc(nc1)SCC=O 62a_200015260668_100000764248 [0,2,0,0,0,0|1,0,0]=3 6155 B12R1.71 CNc1ccc(nn1)SCC=O 62a_100000215272_200015260668 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.71 CNc1ccc(nn1)SCC=O 62a_200015260668_100000215272 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.71 CNc1cnc(cn1)SCC=O 62a_100012000640_200015260668 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.71 CNc1cnc(cn1)SCC=O 62a_200015260668_100012000640 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.71 CNc1ncc(cn1)SCC=O 62a_100000697329_200015260668 [0,2,0,0,0,0|2,0,0]=4 6160 B12R1.71 CNc1ncc(cn1)SCC=O 62a_200015260668_100000697329 [0,2,0,0,0,0|2,0,0]=4 6161 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,2,0,0,0,0|0,0,2]=4 6162 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,2,0,0,0,0|0,0,2]=4 6163 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,2,0,0,0,0|0,0,2]=4 6164 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,2,0,0,0,0|0,0,2]=4 6165 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,2,0,0,0,0|0,0,2]=4 6166 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,2,0,0,0,0|0,0,2]=4 6167 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,2,0,0,0,0|0,0,2]=4 6168 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,2,0,0,0,0|0,0,2]=4 6169 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,2,0,0,0,0|0,0,2]=4 6170 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,2,0,0,0,0|0,0,2]=4 6171 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,2,0,0,0,0|0,0,2]=4 6172 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,2,0,0,0,0|0,0,2]=4 6173 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,2,0,0,0,0|0,0,2]=4 6174 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,2,0,0,0,0|0,0,2]=4 6175 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,2,0,0,0,0|0,0,2]=4 6176 B12R1.71 COCNc1ccc(cc1)CO 2230a_100011215238_100000766300 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.71 COCOc1ccc(cc1)SC 62a_100012265687_200000210301 [0,2,0,0,0,0|2,0,0]=4 6180 B12R1.71 COCOc1ccc(cc1)SC 62a_200000210301_100012265687 [0,2,0,0,0,0|2,0,0]=4 6181 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_100012265687_200025704644 [0,2,0,0,0,0|2,0,0]=4 6182 B12R1.71 COCOc1ccc(cc1)S[13CH3] 62a_200025704644_100012265687 [0,2,0,0,0,0|2,0,0]=4 6183 B12R1.71 COCSc1ccc(cc1)CF 62a_100000766300_100010268989 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.71 COCSc1ccc(cc1)CF 62a_100010268989_100000766300 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.71 COCSc1ccc(cc1)CN 62a_100000766300_100016989417 [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.71 COCSc1ccc(cc1)CN 62a_100016989417_100000766300 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.71 COCSc1ccc(cc1)CO 62a_100000690907_100000766300 [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.71 COCSc1ccc(cc1)CO 62a_100000766300_100000690907 [0,2,0,0,0,0|2,0,0]=4 6189 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.71 COCSc1ccc(cc1)SC 62a_100000766300_100011263217 [0,2,0,0,0,0|2,0,0]=4 6191 B12R1.71 COCSc1ccc(cc1)SC 62a_100011263217_100000766300 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,2,0,0,0,0|1,0,1]=4 6193 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,2,0,0,0,0|1,0,1]=4 6194 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|0,0,2]=4 6195 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|0,0,2]=4 6196 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,2,0,0,0,0|1,0,1]=4 6197 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,2,0,0,0,0|1,0,1]=4 6198 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,2,0,0,0,0|0,0,2]=4 6199 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,2,0,0,0,0|0,0,2]=4 6200 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,2,0,0,0,0|0,1,1]=4 6201 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,2,0,0,0,0|0,1,1]=4 6202 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,2,0,0,0,0|0,1,1]=4 6203 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,2,0,0,0,0|0,1,1]=4 6204 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,2,0,0,0,0|1,0,1]=4 6205 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,2,0,0,0,0|1,0,1]=4 6206 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,2,0,0,0,0|1,0,1]=4 6207 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,2,0,0,0,0|0,0,0]=2 6208 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,2,0,0,0,0|1,0,1]=4 6209 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,2,0,0,0,0|0,0,2]=4 6210 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,2,0,0,0,0|0,0,0]=2 6212 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,2,0,0,0,0|1,0,1]=4 6213 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,2,0,0,0,0|0,0,2]=4 6214 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.71 COc1ccc(cc1)SCC#N 62a_100011215382_100000171711 [0,2,0,0,0,0|1,0,1]=4 6216 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,2,0,0,0,0|0,0,0]=2 6217 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,2,0,0,0,0|1,0,1]=4 6218 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,2,0,0,0,0|0,0,2]=4 6219 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [0,2,0,0,0,0|2,0,0]=4 6220 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [0,2,0,0,0,0|1,0,0]=3 6223 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,2,0,0,0,0|1,0,0]=3 6224 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [0,2,0,0,0,0|1,0,0]=3 6225 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [0,2,0,0,0,0|1,0,0]=3 6226 B12R1.71 COc1ccc(nn1)SCC=O 62a_100009819040_200015260668 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.71 COc1ccc(nn1)SCC=O 62a_200015260668_100009819040 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.71 COc1cnc(cn1)SCC=O 62a_100011998698_200015260668 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.71 COc1cnc(cn1)SCC=O 62a_200015260668_100011998698 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.71 COc1cnc(nc1)SCC=O 62a_100000069167_200015260668 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.71 COc1cnc(nc1)SCC=O 62a_200015260668_100000069167 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.71 COc1ncc(cn1)OCC=O 34a_100000099601_200009817547 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.71 COc1ncc(cn1)OCC=O 7a_100000099601_200015260668 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.71 COc1ncc(cn1)SCC=O 62a_100000686852_200015260668 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.71 COc1ncc(cn1)SCC=O 62a_200015260668_100000686852 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,2,0,0,0,0|0,1,1]=4 6237 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,2,0,0,0,0|0,1,1]=4 6238 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,2,0,0,0,0|0,1,1]=4 6239 B12R1.71 CSCNc1ccc(cc1)CO 2230a_100011215238_100011218213 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.71 CSCNc1ccc(cc1)CO 34a_100011215238_100011218213 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.71 CSCNc1ccc(cc1)SC 34a_100000212337_100011218213 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.71 CSCOc1ccc(cc1)CN 34a_100000185549_100011218213 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.71 CSCOc1ccc(cc1)CO 34a_100000211755_100011218213 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.71 CSCOc1ccc(cc1)SC 34a_100000211864_100011218213 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.71 CSCSc1ccc(cc1)CF 62a_100010268989_100011218213 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.71 CSCSc1ccc(cc1)CF 62a_100011218213_100010268989 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.71 CSCSc1ccc(cc1)CN 62a_100011218213_100016989417 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.71 CSCSc1ccc(cc1)CN 62a_100016989417_100011218213 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.71 CSCSc1ccc(cc1)CO 62a_100000690907_100011218213 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.71 CSCSc1ccc(cc1)CO 62a_100011218213_100000690907 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011218213_100011263217 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.71 CSCSc1ccc(cc1)SC 62a_100011263217_100011218213 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,2,0,0,0,0|0,0,1]=3 6254 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,2,0,0,0,0|0,0,1]=3 6255 B12R1.71 CSc1ccc(cc1)CCC#N 62a_100011216407_200000210301 [0,2,0,0,0,0|1,0,1]=4 6256 B12R1.71 CSc1ccc(cc1)CCC#N 62a_200000210301_100011216407 [0,2,0,0,0,0|1,0,1]=4 6257 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|0,0,0]=2 6258 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|0,0,0]=2 6259 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,2,0,0,0,0|1,0,1]=4 6260 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,2,0,0,0,0|1,0,1]=4 6261 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,2,0,0,0,0|0,0,2]=4 6262 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,2,0,0,0,0|0,0,2]=4 6263 B12R1.71 CSc1ccc(cc1)CNCF 34a_100000174980_100015361967 [0,2,0,0,0,0|1,0,1]=4 6264 B12R1.71 CSc1ccc(cc1)COCF 34a_100011215404_100015361967 [0,2,0,0,0,0|1,0,1]=4 6265 B12R1.71 CSc1ccc(cc1)COCF 7a_100011215404_100015361967 [0,2,0,0,0,0|1,0,1]=4 6266 B12R1.71 CSc1ccc(cc1)CSC#N 62a_200000210301_200010141448 [0,2,0,0,0,0|1,0,1]=4 6267 B12R1.71 CSc1ccc(cc1)CSC#N 62a_200010141448_200000210301 [0,2,0,0,0,0|1,0,1]=4 6268 B12R1.71 CSc1ccc(cc1)CSCF 62a_100000181263_100015361967 [0,2,0,0,0,0|1,0,1]=4 6269 B12R1.71 CSc1ccc(cc1)CSCF 62a_100015361967_100000181263 [0,2,0,0,0,0|1,0,1]=4 6270 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,2,0,0,0,0|0,0,0]=2 6271 B12R1.71 CSc1ccc(cc1)NCCF 34a_100000212337_100011217306 [0,2,0,0,0,0|1,0,1]=4 6272 B12R1.71 CSc1ccc(cc1)NCCO 34a_100000212337_100000211926 [0,2,0,0,0,0|0,0,2]=4 6273 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000169425_200000210301 [0,2,0,0,0,0|1,0,1]=4 6274 B12R1.71 CSc1ccc(cc1)OCC#N 62a_200000210301_200000169425 [0,2,0,0,0,0|1,0,1]=4 6275 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,2,0,0,0,0|0,0,0]=2 6276 B12R1.71 CSc1ccc(cc1)OCCF 34a_100000211864_100011217306 [0,2,0,0,0,0|1,0,1]=4 6277 B12R1.71 CSc1ccc(cc1)OCCF 62a_100012347556_200000210301 [0,2,0,0,0,0|1,0,1]=4 6278 B12R1.71 CSc1ccc(cc1)OCCF 62a_200000210301_100012347556 [0,2,0,0,0,0|1,0,1]=4 6279 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|1,0,1]=4 6280 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|1,0,1]=4 6281 B12R1.71 CSc1ccc(cc1)OCCO 34a_100000211864_100000211926 [0,2,0,0,0,0|0,0,2]=4 6282 B12R1.71 CSc1ccc(cc1)OCCO 62a_100000686261_200000210301 [0,2,0,0,0,0|0,0,2]=4 6283 B12R1.71 CSc1ccc(cc1)OCCO 62a_200000210301_100000686261 [0,2,0,0,0,0|0,0,2]=4 6284 B12R1.71 CSc1ccc(cc1)SCC#N 62a_100011215382_100011263217 [0,2,0,0,0,0|1,0,1]=4 6285 B12R1.71 CSc1ccc(cc1)SCC#N 62a_100011263217_100011215382 [0,2,0,0,0,0|1,0,1]=4 6286 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,2,0,0,0,0|0,0,0]=2 6287 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,2,0,0,0,0|0,0,0]=2 6288 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011217306_100011263217 [0,2,0,0,0,0|1,0,1]=4 6289 B12R1.71 CSc1ccc(cc1)SCCF 62a_100011263217_100011217306 [0,2,0,0,0,0|1,0,1]=4 6290 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,2,0,0,0,0|1,0,1]=4 6291 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,2,0,0,0,0|1,0,1]=4 6292 B12R1.71 CSc1ccc(cc1)SCCO 62a_100000211926_100011263217 [0,2,0,0,0,0|0,0,2]=4 6293 B12R1.71 CSc1ccc(cc1)SCCO 62a_100011263217_100000211926 [0,2,0,0,0,0|0,0,2]=4 6294 B12R1.71 CSc1ccc(cn1)SCC=O 62a_100011408404_200015260668 [0,2,0,0,0,0|1,0,0]=3 6295 B12R1.71 CSc1ccc(cn1)SCC=O 62a_200015260668_100011408404 [0,2,0,0,0,0|1,0,0]=3 6296 B12R1.71 CSc1ccc(nc1)SCC=O 62a_100009820866_200015260668 [0,2,0,0,0,0|1,0,0]=3 6297 B12R1.71 CSc1ccc(nc1)SCC=O 62a_200015260668_100009820866 [0,2,0,0,0,0|1,0,0]=3 6298 B12R1.71 CSc1cnc(cn1)SCC=O 62a_200012356277_200015260668 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.71 CSc1cnc(cn1)SCC=O 62a_200015260668_200012356277 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.71 CSc1cnc(nc1)SCC=O 62a_100000718988_200015260668 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.71 CSc1cnc(nc1)SCC=O 62a_200015260668_100000718988 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.71 CSc1ncc(cn1)OCC=O 34a_100000075549_200009817547 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.71 CSc1ncc(cn1)OCC=O 7a_100000075549_200015260668 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.71 CSc1ncc(cn1)SCC=O 62a_100000722549_200015260668 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.71 CSc1ncc(cn1)SCC=O 62a_200015260668_100000722549 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.71 FCCSc1ccc(cc1)CF 62a_100010268989_100011217306 [0,2,0,0,0,0|1,0,1]=4 6307 B12R1.71 FCCSc1ccc(cc1)CF 62a_100011217306_100010268989 [0,2,0,0,0,0|1,0,1]=4 6308 B12R1.71 FCOCc1ccc(cc1)CBr 34a_100012353999_100015361967 [0,2,0,0,0,0|1,0,1]=4 6309 B12R1.71 FCOCc1ccc(cc1)CBr 7a_100012353999_100015361967 [0,2,0,0,0,0|1,0,1]=4 6310 B12R1.71 FCOCc1ccc(cc1)CCl 34a_100000067286_100015361967 [0,2,0,0,0,0|1,0,1]=4 6311 B12R1.71 FCOCc1ccc(cc1)CCl 7a_100000067286_100015361967 [0,2,0,0,0,0|1,0,1]=4 6312 B12R1.71 N#CCNc1ccc(cc1)CO 2230a_100011215238_100011215382 [0,2,0,0,0,0|1,0,1]=4 6313 B12R1.71 N#CCSc1ccc(cc1)CF 62a_100010268989_100011215382 [0,2,0,0,0,0|1,0,1]=4 6314 B12R1.71 N#CCSc1ccc(cc1)CF 62a_100011215382_100010268989 [0,2,0,0,0,0|1,0,1]=4 6315 B12R1.71 N#CCSc1ccc(cc1)CN 62a_100011215382_100016989417 [0,2,0,0,0,0|1,0,1]=4 6316 B12R1.71 N#CCSc1ccc(cc1)CN 62a_100016989417_100011215382 [0,2,0,0,0,0|1,0,1]=4 6317 B12R1.71 N#CCSc1ccc(cc1)CO 62a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 6318 B12R1.71 N#CCSc1ccc(cc1)CO 62a_100011215382_100000690907 [0,2,0,0,0,0|1,0,1]=4 6319 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,2,0,0,0,0|0,0,1]=3 6320 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,2,0,0,0,0|0,0,1]=3 6321 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,2,0,0,0,0|0,0,1]=3 6322 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,2,0,0,0,0|0,0,1]=3 6323 B12R1.71 N#Cc1ccc(cn1)OCC=O 34a_100011934750_200009817547 [0,2,0,0,0,0|1,0,1]=4 6324 B12R1.71 N#Cc1ccc(cn1)OCC=O 7a_100011934750_200015260668 [0,2,0,0,0,0|1,0,1]=4 6325 B12R1.71 N#Cc1ccc(cn1)SCC=O 62a_200015260668_100000760455 [0,2,0,0,0,0|1,0,1]=4 6326 B12R1.71 N#Cc1ccc(nc1)SCC=O 62a_200015260668_100000241038 [0,2,0,0,0,0|1,0,1]=4 6327 B12R1.71 NCc1ccc(cc1)COCF 34a_100015189231_100015361967 [0,2,0,0,0,0|1,0,1]=4 6328 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,2,0,0,0,0|0,0,0]=2 6329 B12R1.71 NCc1ccc(cc1)OCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|1,0,1]=4 6330 B12R1.71 NCc1ccc(cc1)OCCO 34a_100000185549_100000211926 [0,2,0,0,0,0|0,0,2]=4 6331 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,2,0,0,0,0|0,0,0]=2 6332 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,2,0,0,0,0|0,0,0]=2 6333 B12R1.71 NCc1ccc(cc1)SCCF 62a_100011217306_100016989417 [0,2,0,0,0,0|1,0,1]=4 6334 B12R1.71 NCc1ccc(cc1)SCCF 62a_100016989417_100011217306 [0,2,0,0,0,0|1,0,1]=4 6335 B12R1.71 NCc1ccc(cc1)SCCO 62a_100000211926_100016989417 [0,2,0,0,0,0|0,0,2]=4 6336 B12R1.71 NCc1ccc(cc1)SCCO 62a_100016989417_100000211926 [0,2,0,0,0,0|0,0,2]=4 6337 B12R1.71 NCc1ccc(cn1)OCC=O 34a_100020605196_200009817547 [0,2,0,0,0,0|1,0,0]=3 6338 B12R1.71 NCc1ccc(cn1)SCC=O 62a_100015188789_200015260668 [0,2,0,0,0,0|1,0,0]=3 6339 B12R1.71 NCc1ccc(cn1)SCC=O 62a_200015260668_100015188789 [0,2,0,0,0,0|1,0,0]=3 6340 B12R1.71 NCc1ccc(nc1)OCC=O 34a_100000757128_200009817547 [0,2,0,0,0,0|1,0,0]=3 6341 B12R1.71 NCc1ccc(nc1)SCC=O 62a_100000735879_200015260668 [0,2,0,0,0,0|1,0,0]=3 6342 B12R1.71 NCc1ccc(nc1)SCC=O 62a_200015260668_100000735879 [0,2,0,0,0,0|1,0,0]=3 6343 B12R1.71 NCc1ncc(cn1)SCC=O 62a_200015260668_200016993442 [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.71 NCc1ncc(cn1)SCC=O 62a_200016993442_200015260668 [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,2,0,0,0,0|1,0,0]=3 6346 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,2,0,0,0,0|1,0,0]=3 6347 B12R1.71 NNc1ccc(cn1)SCC=O 62a_100000750576_200015260668 [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.71 NNc1ccc(cn1)SCC=O 62a_200015260668_100000750576 [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.71 NNc1ccc(nc1)SCC=O 62a_100000755011_200015260668 [0,2,0,0,0,0|2,0,0]=4 6350 B12R1.71 NNc1ccc(nc1)SCC=O 62a_200015260668_100000119030 [0,2,0,0,0,0|2,0,0]=4 6351 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,2,0,0,0,0|0,0,0]=2 6352 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,2,0,0,0,0|0,0,0]=2 6353 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,2,0,0,0,0|0,0,0]=2 6354 B12R1.71 O=CCOc1ccc(nc1)CO 34a_103436540053_200009817547 [0,2,0,0,0,0|1,0,0]=3 6355 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,2,0,0,0,0|0,0,1]=3 6356 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,2,0,0,0,0|0,0,1]=3 6357 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,2,0,0,0,0|0,0,0]=2 6358 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,2,0,0,0,0|0,0,0]=2 6359 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,2,0,0,0,0|0,0,0]=2 6360 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,2,0,0,0,0|0,0,0]=2 6361 B12R1.71 O=CCSc1ccc(cn1)C=O 62a_100000766901_200015260668 [0,2,0,0,0,0|1,0,1]=4 6362 B12R1.71 O=CCSc1ccc(cn1)C=O 62a_200015260668_100000766901 [0,2,0,0,0,0|1,0,1]=4 6363 B12R1.71 O=CCSc1ccc(cn1)CO 62a_100009816760_200015260668 [0,2,0,0,0,0|1,0,0]=3 6364 B12R1.71 O=CCSc1ccc(cn1)CO 62a_200015260668_100009816760 [0,2,0,0,0,0|1,0,0]=3 6365 B12R1.71 O=CCSc1ccc(nc1)C=O 62a_100000754260_200015260668 [0,2,0,0,0,0|1,0,1]=4 6366 B12R1.71 O=CCSc1ccc(nc1)C=O 62a_200015260668_100000754260 [0,2,0,0,0,0|1,0,1]=4 6367 B12R1.71 O=CCSc1ccc(nc1)CO 62a_100000754261_200015260668 [0,2,0,0,0,0|1,0,0]=3 6368 B12R1.71 O=CCSc1ccc(nc1)CO 62a_200015260668_100000754261 [0,2,0,0,0,0|1,0,0]=3 6369 B12R1.71 O=CCSc1cnc(cn1)CO 62a_100012002382_200015260668 [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.71 O=CCSc1cnc(cn1)CO 62a_200015260668_100012002382 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.71 O=CCSc1cnc(nc1)CO 62a_100009867226_200015260668 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.71 O=CCSc1cnc(nc1)CO 62a_200015260668_100009867226 [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.71 O=CCSc1ncc(cn1)CO 62a_100009855073_200015260668 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.71 O=CCSc1ncc(cn1)CO 62a_200015260668_100009855073 [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.71 OCCNc1ccc(cc1)CO 2230a_100011215238_100000211926 [0,2,0,0,0,0|0,0,2]=4 6376 B12R1.71 OCCNc1ccc(cc1)CO 34a_100011215238_100000211926 [0,2,0,0,0,0|0,0,2]=4 6377 B12R1.71 OCCOc1ccc(cc1)CO 34a_100000211755_100000211926 [0,2,0,0,0,0|0,0,2]=4 6378 B12R1.71 OCCSc1ccc(cc1)CF 62a_100000211926_100010268989 [0,2,0,0,0,0|0,0,2]=4 6379 B12R1.71 OCCSc1ccc(cc1)CF 62a_100010268989_100000211926 [0,2,0,0,0,0|0,0,2]=4 6380 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000211926_100000690907 [0,2,0,0,0,0|0,0,2]=4 6381 B12R1.71 OCCSc1ccc(cc1)CO 62a_100000690907_100000211926 [0,2,0,0,0,0|0,0,2]=4 6382 B12R1.71 OCc1ccc(cc1)CNCF 34a_100015189231_100015361967 [0,2,0,0,0,0|1,0,1]=4 6383 B12R1.71 OCc1ccc(cc1)CSCF 62a_100000067286_100015361967 [0,2,0,0,0,0|1,0,1]=4 6384 B12R1.71 OCc1ccc(cc1)CSCF 62a_100015361967_100000067286 [0,2,0,0,0,0|1,0,1]=4 6385 B12R1.71 OCc1ccc(cc1)NCCF 2230a_100011215238_100011217306 [0,2,0,0,0,0|1,0,1]=4 6386 B12R1.71 OCc1ccc(cc1)NCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|1,0,1]=4 6387 B12R1.71 OCc1ccc(cc1)OCCF 34a_100000211755_100011217306 [0,2,0,0,0,0|1,0,1]=4 6388 B12R1.71 OCc1ccc(cc1)SCCF 62a_100000690907_100011217306 [0,2,0,0,0,0|1,0,1]=4 6389 B12R1.71 OCc1ccc(cc1)SCCF 62a_100011217306_100000690907 [0,2,0,0,0,0|1,0,1]=4 6390 B12R1.71 [13CH3]Nc1ccc(cc1)OCCF 34a_100012282086_200025704644 [0,2,0,0,0,0|1,0,1]=4 6391 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 2230a_100000754363_200025704644 [0,2,0,0,0,0|0,0,2]=4 6392 B12R1.71 [13CH3]Nc1ccc(cc1)OCCO 34a_100000754363_200025704644 [0,2,0,0,0,0|0,0,2]=4 6393 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,2,0,0,0,0|1,0,1]=4 6394 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,2,0,0,0,0|1,0,1]=4 6395 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|0,0,2]=4 6396 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|0,0,2]=4 6397 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,2,0,0,0,0|0,0,1]=3 6398 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,2,0,0,0,0|0,0,1]=3 6399 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_100011216407_200025704644 [0,2,0,0,0,0|1,0,1]=4 6400 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_200025704644_100011216407 [0,2,0,0,0,0|1,0,1]=4 6401 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|0,0,0]=2 6402 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|0,0,0]=2 6403 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,2,0,0,0,0|1,0,1]=4 6404 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,2,0,0,0,0|1,0,1]=4 6405 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,2,0,0,0,0|0,0,2]=4 6406 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,2,0,0,0,0|0,0,2]=4 6407 B12R1.71 [13CH3]Sc1ccc(cc1)CSC#N 62a_200010141448_200025704644 [0,2,0,0,0,0|1,0,1]=4 6408 B12R1.71 [13CH3]Sc1ccc(cc1)CSC#N 62a_200025704644_200010141448 [0,2,0,0,0,0|1,0,1]=4 6409 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200000169425_200025704644 [0,2,0,0,0,0|1,0,1]=4 6410 B12R1.71 [13CH3]Sc1ccc(cc1)OCC#N 62a_200025704644_200000169425 [0,2,0,0,0,0|1,0,1]=4 6411 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_100012347556_200025704644 [0,2,0,0,0,0|1,0,1]=4 6412 B12R1.71 [13CH3]Sc1ccc(cc1)OCCF 62a_200025704644_100012347556 [0,2,0,0,0,0|1,0,1]=4 6413 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|1,0,1]=4 6414 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|1,0,1]=4 6415 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_100000686261_200025704644 [0,2,0,0,0,0|0,0,2]=4 6416 B12R1.71 [13CH3]Sc1ccc(cc1)OCCO 62a_200025704644_100000686261 [0,2,0,0,0,0|0,0,2]=4 6417 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,2,0,0,0,0|1,0,1]=4 6418 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,2,0,0,0,0|1,0,1]=4 6419 B12R1.385 C#CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000038162 [0,2,0,0,0,0|1,0,1]=4 6420 B12R1.385 C#CCNc1ccc(c(c1)Br)C 34a_100000736455_100000184674 [0,2,0,0,0,0|1,0,1]=4 6421 B12R1.385 C#CCNc1ccc(c(c1)Br)C 7a_100000736455_100000038162 [0,2,0,0,0,0|1,0,1]=4 6422 B12R1.385 C#CCNc1ccc(c(c1)C)C 2230a_100000724040_100000038162 [0,2,0,0,0,0|1,0,1]=4 6423 B12R1.385 C#CCNc1ccc(c(c1)C)C 34a_100000724040_100000184674 [0,2,0,0,0,0|1,0,1]=4 6424 B12R1.385 C#CCNc1ccc(c(c1)C)C 7a_100000724040_100000038162 [0,2,0,0,0,0|1,0,1]=4 6425 B12R1.385 C#CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000038162 [0,2,0,0,0,0|1,0,1]=4 6426 B12R1.385 C#CCNc1ccc(c(c1)Cl)C 34a_100000188892_100000184674 [0,2,0,0,0,0|1,0,1]=4 6427 B12R1.385 C#CCNc1ccc(c(c1)Cl)C 7a_100000188892_100000038162 [0,2,0,0,0,0|1,0,1]=4 6428 B12R1.385 C#CCNc1ccc(c(c1)F)C 2230a_100000210958_100000038162 [0,2,0,0,0,0|1,0,1]=4 6429 B12R1.385 C#CCNc1ccc(c(c1)F)C 34a_100000210958_100000184674 [0,2,0,0,0,0|1,0,1]=4 6430 B12R1.385 C#CCNc1ccc(c(c1)F)C 7a_100000210958_100000038162 [0,2,0,0,0,0|1,0,1]=4 6431 B12R1.385 C#CCNc1ccc(c(c1)I)C 34a_100000184131_100000184674 [0,2,0,0,0,0|1,0,1]=4 6432 B12R1.385 C#CCNc1ccc(c(c1)I)C 7a_100000184131_100000038162 [0,2,0,0,0,0|1,0,1]=4 6433 B12R1.385 C#CCNc1ccc(c(c1)O)C 34a_100000759471_100000184674 [0,2,0,0,0,0|1,0,1]=4 6434 B12R1.385 C#CCNc1ccc(c(c1)O)C 7a_100000759471_100000038162 [0,2,0,0,0,0|1,0,1]=4 6435 B12R1.385 C#CCOc1ccc(c(c1)Br)C 34a_100011380479_100000184674 [0,2,0,0,0,0|1,0,1]=4 6436 B12R1.385 C#CCOc1ccc(c(c1)Br)C 7a_100011380479_100000038162 [0,2,0,0,0,0|1,0,1]=4 6437 B12R1.385 C#CCOc1ccc(c(c1)C)C 34a_100000210932_100000184674 [0,2,0,0,0,0|1,0,1]=4 6438 B12R1.385 C#CCOc1ccc(c(c1)C)C 7a_100000210932_100000038162 [0,2,0,0,0,0|1,0,1]=4 6439 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 34a_100011265682_100000184674 [0,2,0,0,0,0|1,0,1]=4 6440 B12R1.385 C#CCOc1ccc(c(c1)Cl)C 7a_100011265682_100000038162 [0,2,0,0,0,0|1,0,1]=4 6441 B12R1.385 C#CCOc1ccc(c(c1)F)C 34a_100000722560_100000184674 [0,2,0,0,0,0|1,0,1]=4 6442 B12R1.385 C#CCOc1ccc(c(c1)F)C 7a_100000722560_100000038162 [0,2,0,0,0,0|1,0,1]=4 6443 B12R1.385 C#CCOc1ccc(c(c1)N)C 34a_100011216113_100000184674 [0,2,0,0,0,0|1,0,1]=4 6444 B12R1.385 C#CCOc1ccc(c(c1)N)C 7a_100011216113_100000038162 [0,2,0,0,0,0|1,0,1]=4 6445 B12R1.385 C#CCSc1ccc(c(c1)Br)C 62a_100000038162_100011847877 [0,2,0,0,0,0|1,0,1]=4 6446 B12R1.385 C#CCSc1ccc(c(c1)C)C 62a_100000038162_100011215607 [0,2,0,0,0,0|1,0,1]=4 6447 B12R1.385 C#CCSc1ccc(c(c1)Cl)C 62a_100000038162_100011216363 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.385 C#CCSc1ccc(c(c1)F)C 62a_100000038162_100000720648 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.385 C#CCSc1ccc(c(c1)N)C 62a_100000038162_100000761890 [0,2,0,0,0,0|1,0,1]=4 6450 B12R1.385 C#CCSc1ccc(c(c1)O)C 62a_100000038162_100000685420 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.385 C=CCNc1cc(c(cn1)C)F 27a_100020586998_100009841206 [0,2,0,0,0,0|2,0,0]=4 6452 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210623 [0,2,0,0,0,0|2,0,0]=4 6453 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 34a_100011306057_100015514636 [0,2,0,0,0,0|2,0,0]=4 6454 B12R1.385 C=CCNc1ccc(c(c1)Br)Br 7a_100011306057_100015514636 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.385 C=CCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210623 [0,2,0,0,0,0|1,0,0]=3 6456 B12R1.385 C=CCNc1ccc(c(c1)Br)C 34a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6457 B12R1.385 C=CCNc1ccc(c(c1)Br)C 7a_100000736455_100015514636 [0,2,0,0,0,0|1,0,0]=3 6458 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210623 [0,2,0,0,0,0|2,0,0]=4 6459 B12R1.385 C=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_100015514636 [0,2,0,0,0,0|2,0,0]=4 6460 B12R1.385 C=CCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210623 [0,2,0,0,0,0|2,0,0]=4 6461 B12R1.385 C=CCNc1ccc(c(c1)Br)F 34a_100000760356_100015514636 [0,2,0,0,0,0|2,0,0]=4 6462 B12R1.385 C=CCNc1ccc(c(c1)Br)F 7a_100000760356_100015514636 [0,2,0,0,0,0|2,0,0]=4 6463 B12R1.385 C=CCNc1ccc(c(c1)Br)I 34a_100000750458_100015514636 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.385 C=CCNc1ccc(c(c1)Br)O 34a_100011534360_100015514636 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.385 C=CCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210623 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.385 C=CCNc1ccc(c(c1)C)Br 34a_100000210723_100015514636 [0,2,0,0,0,0|2,0,0]=4 6467 B12R1.385 C=CCNc1ccc(c(c1)C)Br 7a_100000210723_100015514636 [0,2,0,0,0,0|2,0,0]=4 6468 B12R1.385 C=CCNc1ccc(c(c1)C)C 2230a_100000724040_100000210623 [0,2,0,0,0,0|1,0,0]=3 6469 B12R1.385 C=CCNc1ccc(c(c1)C)C 34a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 6470 B12R1.385 C=CCNc1ccc(c(c1)C)C 7a_100000724040_100015514636 [0,2,0,0,0,0|1,0,0]=3 6471 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210623 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 34a_100000187808_100015514636 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.385 C=CCNc1ccc(c(c1)C)Cl 7a_100000187808_100015514636 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.385 C=CCNc1ccc(c(c1)C)F 2230a_100000750164_100000210623 [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.385 C=CCNc1ccc(c(c1)C)F 34a_100000750164_100015514636 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.385 C=CCNc1ccc(c(c1)C)F 7a_100000750164_100015514636 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.385 C=CCNc1ccc(c(c1)C)I 34a_100000198070_100015514636 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.385 C=CCNc1ccc(c(c1)C)I 7a_100000198070_100015514636 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.385 C=CCNc1ccc(c(c1)C)O 34a_100011218179_100015514636 [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.385 C=CCNc1ccc(c(c1)C)O 7a_100011218179_100015514636 [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210623 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_100015514636 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_100015514636 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210623 [0,2,0,0,0,0|1,0,0]=3 6485 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 34a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 6486 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 7a_100000188892_100015514636 [0,2,0,0,0,0|1,0,0]=3 6487 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210623 [0,2,0,0,0,0|2,0,0]=4 6488 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100015514636 [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210623 [0,2,0,0,0,0|2,0,0]=4 6490 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 34a_100000211060_100015514636 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 7a_100000211060_100015514636 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.385 C=CCNc1ccc(c(c1)Cl)I 34a_100000761885_100015514636 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.385 C=CCNc1ccc(c(c1)Cl)O 34a_100000744943_100015514636 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.385 C=CCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210623 [0,2,0,0,0,0|2,0,0]=4 6495 B12R1.385 C=CCNc1ccc(c(c1)F)Br 34a_100000759894_100015514636 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.385 C=CCNc1ccc(c(c1)F)Br 7a_100000759894_100015514636 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.385 C=CCNc1ccc(c(c1)F)C 2230a_100000210958_100000210623 [0,2,0,0,0,0|1,0,0]=3 6498 B12R1.385 C=CCNc1ccc(c(c1)F)C 34a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 6499 B12R1.385 C=CCNc1ccc(c(c1)F)C 7a_100000210958_100015514636 [0,2,0,0,0,0|1,0,0]=3 6500 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210623 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 34a_100000739366_100015514636 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.385 C=CCNc1ccc(c(c1)F)Cl 7a_100000739366_100015514636 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.385 C=CCNc1ccc(c(c1)F)F 2230a_100000210724_100000210623 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.385 C=CCNc1ccc(c(c1)F)F 34a_100000210724_100015514636 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.385 C=CCNc1ccc(c(c1)F)F 7a_100000210724_100015514636 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.385 C=CCNc1ccc(c(c1)F)I 34a_100011356925_100015514636 [0,2,0,0,0,0|2,0,0]=4 6507 B12R1.385 C=CCNc1ccc(c(c1)F)I 7a_100011356925_100015514636 [0,2,0,0,0,0|2,0,0]=4 6508 B12R1.385 C=CCNc1ccc(c(c1)F)O 34a_100011220035_100015514636 [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.385 C=CCNc1ccc(c(c1)F)O 7a_100011220035_100015514636 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.385 C=CCNc1ccc(c(c1)I)Br 34a_100000750459_100015514636 [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.385 C=CCNc1ccc(c(c1)I)C 34a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 6512 B12R1.385 C=CCNc1ccc(c(c1)I)C 7a_100000184131_100015514636 [0,2,0,0,0,0|1,0,0]=3 6513 B12R1.385 C=CCNc1ccc(c(c1)I)Cl 34a_100012360549_100015514636 [0,2,0,0,0,0|2,0,0]=4 6514 B12R1.385 C=CCNc1ccc(c(c1)I)F 34a_114828291077_100015514636 [0,2,0,0,0,0|2,0,0]=4 6515 B12R1.385 C=CCNc1ccc(c(c1)I)F 7a_114828291077_100015514636 [0,2,0,0,0,0|2,0,0]=4 6516 B12R1.385 C=CCNc1ccc(c(c1)O)C 34a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 6517 B12R1.385 C=CCNc1ccc(c(c1)O)C 7a_100000759471_100015514636 [0,2,0,0,0,0|1,0,0]=3 6518 B12R1.385 C=CCNc1ccc(c(c1)O)Cl 34a_100011934209_100015514636 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.385 C=CCNc1ccc(c(c1)O)F 34a_100012017398_100015514636 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.385 C=CCNc1ccc(c(c1)O)F 7a_100012017398_100015514636 [0,2,0,0,0,0|2,0,0]=4 6521 B12R1.385 C=CCNc1ccc(c(c1)O)O 34a_100102946323_100015514636 [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.385 C=CCNc1ccn(c(=O)c1)C 27a_100020586998_100009820031 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.385 C=CCOc1cc(c(cn1)C)Br 34a_100009831917_100015514636 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.385 C=CCOc1ccc(c(c1)Br)C 34a_100011380479_100015514636 [0,2,0,0,0,0|1,0,0]=3 6525 B12R1.385 C=CCOc1ccc(c(c1)Br)C 7a_100011380479_100015514636 [0,2,0,0,0,0|1,0,0]=3 6526 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_100015514636 [0,2,0,0,0,0|2,0,0]=4 6527 B12R1.385 C=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_100015514636 [0,2,0,0,0,0|2,0,0]=4 6528 B12R1.385 C=CCOc1ccc(c(c1)Br)F 34a_100000693481_100015514636 [0,2,0,0,0,0|2,0,0]=4 6529 B12R1.385 C=CCOc1ccc(c(c1)Br)F 7a_100000693481_100015514636 [0,2,0,0,0,0|2,0,0]=4 6530 B12R1.385 C=CCOc1ccc(c(c1)Br)I 34a_100000701344_100015514636 [0,2,0,0,0,0|2,0,0]=4 6531 B12R1.385 C=CCOc1ccc(c(c1)Br)I 7a_100000701344_100015514636 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.385 C=CCOc1ccc(c(c1)Br)N 34a_100012001276_100015514636 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.385 C=CCOc1ccc(c(c1)Br)N 7a_100012001276_100015514636 [0,2,0,0,0,0|2,0,0]=4 6534 B12R1.385 C=CCOc1ccc(c(c1)C)Br 34a_100000690111_100015514636 [0,2,0,0,0,0|2,0,0]=4 6535 B12R1.385 C=CCOc1ccc(c(c1)C)Br 7a_100000690111_100015514636 [0,2,0,0,0,0|2,0,0]=4 6536 B12R1.385 C=CCOc1ccc(c(c1)C)C 34a_100000210932_100015514636 [0,2,0,0,0,0|1,0,0]=3 6537 B12R1.385 C=CCOc1ccc(c(c1)C)C 7a_100000210932_100015514636 [0,2,0,0,0,0|1,0,0]=3 6538 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 34a_100000211092_100015514636 [0,2,0,0,0,0|2,0,0]=4 6539 B12R1.385 C=CCOc1ccc(c(c1)C)Cl 7a_100000211092_100015514636 [0,2,0,0,0,0|2,0,0]=4 6540 B12R1.385 C=CCOc1ccc(c(c1)C)F 34a_100000751312_100015514636 [0,2,0,0,0,0|2,0,0]=4 6541 B12R1.385 C=CCOc1ccc(c(c1)C)F 7a_100000751312_100015514636 [0,2,0,0,0,0|2,0,0]=4 6542 B12R1.385 C=CCOc1ccc(c(c1)C)I 34a_100000729255_100015514636 [0,2,0,0,0,0|2,0,0]=4 6543 B12R1.385 C=CCOc1ccc(c(c1)C)I 7a_100000729255_100015514636 [0,2,0,0,0,0|2,0,0]=4 6544 B12R1.385 C=CCOc1ccc(c(c1)C)N 34a_100000756630_100015514636 [0,2,0,0,0,0|2,0,0]=4 6545 B12R1.385 C=CCOc1ccc(c(c1)C)N 7a_100000756630_100015514636 [0,2,0,0,0,0|2,0,0]=4 6546 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,2,0,0,0,0|2,0,0]=4 6547 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,2,0,0,0,0|2,0,0]=4 6548 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,2,0,0,0,0|1,0,0]=3 6549 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,2,0,0,0,0|1,0,0]=3 6550 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,2,0,0,0,0|2,0,0]=4 6551 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,2,0,0,0,0|2,0,0]=4 6552 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,2,0,0,0,0|2,0,0]=4 6555 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,2,0,0,0,0|2,0,0]=4 6556 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,2,0,0,0,0|2,0,0]=4 6558 B12R1.385 C=CCOc1ccc(c(c1)F)Br 34a_100000755031_100015514636 [0,2,0,0,0,0|2,0,0]=4 6559 B12R1.385 C=CCOc1ccc(c(c1)F)Br 7a_100000755031_100015514636 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.385 C=CCOc1ccc(c(c1)F)C 34a_100000722560_100015514636 [0,2,0,0,0,0|1,0,0]=3 6561 B12R1.385 C=CCOc1ccc(c(c1)F)C 7a_100000722560_100015514636 [0,2,0,0,0,0|1,0,0]=3 6562 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 34a_100000691581_100015514636 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.385 C=CCOc1ccc(c(c1)F)Cl 7a_100000691581_100015514636 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.385 C=CCOc1ccc(c(c1)F)F 34a_100000181275_100015514636 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.385 C=CCOc1ccc(c(c1)F)F 7a_100000181275_100015514636 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.385 C=CCOc1ccc(c(c1)F)I 34a_100009990212_100015514636 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.385 C=CCOc1ccc(c(c1)F)I 7a_100009990212_100015514636 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.385 C=CCOc1ccc(c(c1)F)N 34a_100000759473_100015514636 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.385 C=CCOc1ccc(c(c1)F)N 7a_100000759473_100015514636 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.385 C=CCOc1ccc(c(c1)I)Br 34a_100012339312_100015514636 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.385 C=CCOc1ccc(c(c1)I)Br 7a_100012339312_100015514636 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 34a_100000049588_100015514636 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.385 C=CCOc1ccc(c(c1)I)Cl 7a_100000049588_100015514636 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.385 C=CCOc1ccc(c(c1)I)N 34a_100010084370_100015514636 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.385 C=CCOc1ccc(c(c1)I)N 7a_100010084370_100015514636 [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.385 C=CCOc1ccc(c(c1)N)Br 34a_100011999798_100015514636 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.385 C=CCOc1ccc(c(c1)N)Br 7a_100011999798_100015514636 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.385 C=CCOc1ccc(c(c1)N)C 34a_100011216113_100015514636 [0,2,0,0,0,0|1,0,0]=3 6579 B12R1.385 C=CCOc1ccc(c(c1)N)C 7a_100011216113_100015514636 [0,2,0,0,0,0|1,0,0]=3 6580 B12R1.385 C=CCOc1ccc(c(c1)N)Cl 34a_100011934297_100015514636 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.385 C=CCOc1ccc(c(c1)N)F 34a_100012017239_100015514636 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.385 C=CCOc1ccc(c(c1)N)F 7a_100012017239_100015514636 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.385 C=CCOc1ccc(c(c1)N)N 34a_100025771000_100015514636 [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.385 C=CCOc1cnc(c(c1)Br)C 34a_100009819603_100015514636 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.385 C=CCOc1cnc(c(c1)Br)C 7a_100009819603_100015514636 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.385 C=CCOc1cnc(c(c1)C)C 34a_100009854398_100015514636 [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.385 C=CCOc1cnc(c(c1)C)C 7a_100009854398_100015514636 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100000210623_100009850809 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.385 C=CCSc1cc(c(cn1)C)C 62a_100009850809_100000210623 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100000210623_100009841206 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.385 C=CCSc1cc(c(cn1)C)F 62a_100009841206_100000210623 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000126663_100000210623 [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.385 C=CCSc1cc(c(cn1)C)N 62a_100000210623_100000126663 [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000210623_100000704368 [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.385 C=CCSc1cc(c(cn1)C)O 62a_100000704368_100000210623 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.385 C=CCSc1ccc([n+](c1)[O-])C 62a_100000210623_100000703231 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100000210623_100012356285 [0,2,0,0,0,0|2,0,0]=4 6598 B12R1.385 C=CCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210623 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100000210623_100011847877 [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.385 C=CCSc1ccc(c(c1)Br)C 62a_100011847877_100000210623 [0,2,0,0,0,0|1,0,0]=3 6601 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100000210623_100012353702 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.385 C=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210623 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100000210623_100012047266 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.385 C=CCSc1ccc(c(c1)Br)F 62a_100012047266_100000210623 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000210623_100000750455 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.385 C=CCSc1ccc(c(c1)Br)N 62a_100000750455_100000210623 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100000210623_100012361655 [0,2,0,0,0,0|2,0,0]=4 6608 B12R1.385 C=CCSc1ccc(c(c1)Br)O 62a_100012361655_100000210623 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100000210623_100009813585 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.385 C=CCSc1ccc(c(c1)C)Br 62a_100009813585_100000210623 [0,2,0,0,0,0|2,0,0]=4 6611 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100000210623_100011215607 [0,2,0,0,0,0|1,0,0]=3 6612 B12R1.385 C=CCSc1ccc(c(c1)C)C 62a_100011215607_100000210623 [0,2,0,0,0,0|1,0,0]=3 6613 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210623 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.385 C=CCSc1ccc(c(c1)C)Cl 62a_100000210623_100000049509 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100000210623_100011218330 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.385 C=CCSc1ccc(c(c1)C)F 62a_100011218330_100000210623 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000210623_100000211769 [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.385 C=CCSc1ccc(c(c1)C)N 62a_100000211769_100000210623 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.385 C=CCSc1ccc(c(c1)C)O 62a_100000210623_100000186361 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100000210623_100012047281 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.385 C=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210623 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100000210623_100011216363 [0,2,0,0,0,0|1,0,0]=3 6623 B12R1.385 C=CCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210623 [0,2,0,0,0,0|1,0,0]=3 6624 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100000210623_100011214914 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.385 C=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210623 [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100000210623_100011215976 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.385 C=CCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210623 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100000210623_100011218065 [0,2,0,0,0,0|2,0,0]=4 6629 B12R1.385 C=CCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210623 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100000210623_100012360047 [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.385 C=CCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210623 [0,2,0,0,0,0|2,0,0]=4 6632 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000210623_100000685389 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.385 C=CCSc1ccc(c(c1)F)Br 62a_100000685389_100000210623 [0,2,0,0,0,0|2,0,0]=4 6634 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000210623_100000720648 [0,2,0,0,0,0|1,0,0]=3 6635 B12R1.385 C=CCSc1ccc(c(c1)F)C 62a_100000720648_100000210623 [0,2,0,0,0,0|1,0,0]=3 6636 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100000210623_100011216805 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.385 C=CCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210623 [0,2,0,0,0,0|2,0,0]=4 6638 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000210623_100000703953 [0,2,0,0,0,0|2,0,0]=4 6639 B12R1.385 C=CCSc1ccc(c(c1)F)F 62a_100000703953_100000210623 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100000210623_100011215594 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.385 C=CCSc1ccc(c(c1)F)N 62a_100011215594_100000210623 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000185481_100000210623 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.385 C=CCSc1ccc(c(c1)F)O 62a_100000210623_100000185481 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000210623_100000750456 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.385 C=CCSc1ccc(c(c1)N)Br 62a_100000750456_100000210623 [0,2,0,0,0,0|2,0,0]=4 6646 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000210623_100000761890 [0,2,0,0,0,0|1,0,0]=3 6647 B12R1.385 C=CCSc1ccc(c(c1)N)C 62a_100000761890_100000210623 [0,2,0,0,0,0|1,0,0]=3 6648 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_100000210623_200000761891 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.385 C=CCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210623 [0,2,0,0,0,0|2,0,0]=4 6650 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000210623_100000740924 [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.385 C=CCSc1ccc(c(c1)N)F 62a_100000740924_100000210623 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000210623_100011534411 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.385 C=CCSc1ccc(c(c1)N)N 62a_100000741789_100000210623 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000210623_100000752626 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.385 C=CCSc1ccc(c(c1)N)O 62a_100000752626_100000210623 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100000210623_100012356990 [0,2,0,0,0,0|2,0,0]=4 6657 B12R1.385 C=CCSc1ccc(c(c1)O)Br 62a_100012356990_100000210623 [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000210623_100000685420 [0,2,0,0,0,0|1,0,0]=3 6659 B12R1.385 C=CCSc1ccc(c(c1)O)C 62a_100000685420_100000210623 [0,2,0,0,0,0|1,0,0]=3 6660 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100000210623_100011356854 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.385 C=CCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210623 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000210623_100000686035 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.385 C=CCSc1ccc(c(c1)O)F 62a_100000686035_100000210623 [0,2,0,0,0,0|2,0,0]=4 6664 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000210623_100000739049 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.385 C=CCSc1ccc(c(c1)O)N 62a_100000739049_100000210623 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.385 C=CCSc1ccc(c(c1)O)O 62a_100000210623_100009813601 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000103781_100000210623 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.385 C=CCSc1ccc(c(n1)C)C 62a_100000210623_100000103781 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100000210623_100009857032 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.385 C=CCSc1ccc(c(n1)N)C 62a_100009857032_100000210623 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100000210623_100009820031 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.385 C=CCSc1ccn(c(=O)c1)C 62a_100009820031_100000210623 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000210623_100000697892 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.385 C=CCSc1cnc(c(c1)C)C 62a_100000697892_100000210623 [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100000210623_100009845756 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.385 C=CCSc1cnc(c(c1)F)C 62a_100009845756_100000210623 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100000210623_100011999542 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.385 C=CCSc1cnc(c(c1)N)C 62a_100011999542_100000210623 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100000210623_100009864810 [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.385 C=CCSc1cnc(c(c1)O)C 62a_100009864810_100000210623 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.385 CC=NNc1ccc(c(c1)Br)C 4a_100016991967_200000210099 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.385 CC=NNc1ccc(c(c1)C)C 4a_100000004666_200000210099 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.385 CC=NNc1ccc(c(c1)Cl)C 4a_100000681537_200000210099 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.385 CC=NNc1ccc(c(c1)F)C 4a_100000689702_200000210099 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,2,0,0,0,0|1,0,1]=4 6686 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,2,0,0,0,0|1,0,1]=4 6687 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,2,0,0,0,0|1,0,1]=4 6688 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,2,0,0,0,0|1,0,1]=4 6689 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,2,0,0,0,0|1,0,1]=4 6690 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,2,0,0,0,0|1,0,1]=4 6691 B12R1.385 CCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210303 [0,2,0,0,0,0|1,0,1]=4 6692 B12R1.385 CCCNc1ccc(c(c1)Br)C 34a_100000736455_100000210303 [0,2,0,0,0,0|1,0,1]=4 6693 B12R1.385 CCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210303 [0,2,0,0,0,0|1,0,1]=4 6694 B12R1.385 CCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210303 [0,2,0,0,0,0|1,0,1]=4 6695 B12R1.385 CCCNc1ccc(c(c1)C)C 34a_100000724040_100000210303 [0,2,0,0,0,0|1,0,1]=4 6696 B12R1.385 CCCNc1ccc(c(c1)C)C 7a_100000724040_100000210303 [0,2,0,0,0,0|1,0,1]=4 6697 B12R1.385 CCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210303 [0,2,0,0,0,0|1,0,1]=4 6698 B12R1.385 CCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000210303 [0,2,0,0,0,0|1,0,1]=4 6699 B12R1.385 CCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210303 [0,2,0,0,0,0|1,0,1]=4 6700 B12R1.385 CCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210303 [0,2,0,0,0,0|1,0,1]=4 6701 B12R1.385 CCCNc1ccc(c(c1)F)C 34a_100000210958_100000210303 [0,2,0,0,0,0|1,0,1]=4 6702 B12R1.385 CCCNc1ccc(c(c1)F)C 7a_100000210958_100000210303 [0,2,0,0,0,0|1,0,1]=4 6703 B12R1.385 CCCNc1ccc(c(c1)I)C 34a_100000184131_100000210303 [0,2,0,0,0,0|1,0,1]=4 6704 B12R1.385 CCCNc1ccc(c(c1)I)C 7a_100000184131_100000210303 [0,2,0,0,0,0|1,0,1]=4 6705 B12R1.385 CCCNc1ccc(c(c1)O)C 34a_100000759471_100000210303 [0,2,0,0,0,0|1,0,1]=4 6706 B12R1.385 CCCNc1ccc(c(c1)O)C 7a_100000759471_100000210303 [0,2,0,0,0,0|1,0,1]=4 6707 B12R1.385 CCCOc1ccc(c(c1)Br)C 34a_100011380479_100000210303 [0,2,0,0,0,0|1,0,1]=4 6708 B12R1.385 CCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210303 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.385 CCCOc1ccc(c(c1)C)C 34a_100000210932_100000210303 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.385 CCCOc1ccc(c(c1)C)C 7a_100000210932_100000210303 [0,2,0,0,0,0|1,0,1]=4 6711 B12R1.385 CCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000210303 [0,2,0,0,0,0|1,0,1]=4 6712 B12R1.385 CCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210303 [0,2,0,0,0,0|1,0,1]=4 6713 B12R1.385 CCCOc1ccc(c(c1)F)C 34a_100000722560_100000210303 [0,2,0,0,0,0|1,0,1]=4 6714 B12R1.385 CCCOc1ccc(c(c1)F)C 7a_100000722560_100000210303 [0,2,0,0,0,0|1,0,1]=4 6715 B12R1.385 CCCOc1ccc(c(c1)N)C 34a_100011216113_100000210303 [0,2,0,0,0,0|1,0,1]=4 6716 B12R1.385 CCCOc1ccc(c(c1)N)C 7a_100011216113_100000210303 [0,2,0,0,0,0|1,0,1]=4 6717 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100000210303_100011847877 [0,2,0,0,0,0|1,0,1]=4 6718 B12R1.385 CCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210303 [0,2,0,0,0,0|1,0,1]=4 6719 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100000210303_100011215607 [0,2,0,0,0,0|1,0,1]=4 6720 B12R1.385 CCCSc1ccc(c(c1)C)C 62a_100011215607_100000210303 [0,2,0,0,0,0|1,0,1]=4 6721 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100000210303_100011216363 [0,2,0,0,0,0|1,0,1]=4 6722 B12R1.385 CCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210303 [0,2,0,0,0,0|1,0,1]=4 6723 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000210303_100000720648 [0,2,0,0,0,0|1,0,1]=4 6724 B12R1.385 CCCSc1ccc(c(c1)F)C 62a_100000720648_100000210303 [0,2,0,0,0,0|1,0,1]=4 6725 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000210303_100000761890 [0,2,0,0,0,0|1,0,1]=4 6726 B12R1.385 CCCSc1ccc(c(c1)N)C 62a_100000761890_100000210303 [0,2,0,0,0,0|1,0,1]=4 6727 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000210303_100000685420 [0,2,0,0,0,0|1,0,1]=4 6728 B12R1.385 CCCSc1ccc(c(c1)O)C 62a_100000685420_100000210303 [0,2,0,0,0,0|1,0,1]=4 6729 B12R1.385 CCNCc1ccc(c(c1)Br)C 207a_100015525214_100000695567 [0,2,0,0,0,0|1,0,1]=4 6730 B12R1.385 CCNCc1ccc(c(c1)Br)C 2230a_100015525214_100012232412 [0,2,0,0,0,0|1,0,1]=4 6731 B12R1.385 CCNCc1ccc(c(c1)Br)C 270004a_100015525214_100000695567 [0,2,0,0,0,0|1,0,1]=4 6732 B12R1.385 CCNCc1ccc(c(c1)C)C 207a_100015525214_100000229942 [0,2,0,0,0,0|1,0,1]=4 6733 B12R1.385 CCNCc1ccc(c(c1)C)C 2230a_100015525214_100000742320 [0,2,0,0,0,0|1,0,1]=4 6734 B12R1.385 CCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210202 [0,2,0,0,0,0|1,0,1]=4 6735 B12R1.385 CCNCc1ccc(c(c1)C)C 270004a_100015525214_100000229942 [0,2,0,0,0,0|1,0,1]=4 6736 B12R1.385 CCNCc1ccc(c(c1)C)C 34a_100025706692_100000210202 [0,2,0,0,0,0|1,0,1]=4 6737 B12R1.385 CCNCc1ccc(c(c1)Cl)C 207a_100015525214_100000760539 [0,2,0,0,0,0|1,0,1]=4 6738 B12R1.385 CCNCc1ccc(c(c1)Cl)C 2230a_100015525214_100011823929 [0,2,0,0,0,0|1,0,1]=4 6739 B12R1.385 CCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210202 [0,2,0,0,0,0|1,0,1]=4 6740 B12R1.385 CCNCc1ccc(c(c1)Cl)C 270004a_100015525214_100000760539 [0,2,0,0,0,0|1,0,1]=4 6741 B12R1.385 CCNCc1ccc(c(c1)Cl)C 34a_102495364989_100000210202 [0,2,0,0,0,0|1,0,1]=4 6742 B12R1.385 CCNCc1ccc(c(c1)F)C 207a_100015525214_100000753222 [0,2,0,0,0,0|1,0,1]=4 6743 B12R1.385 CCNCc1ccc(c(c1)F)C 2230a_100015525214_100011217369 [0,2,0,0,0,0|1,0,1]=4 6744 B12R1.385 CCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210202 [0,2,0,0,0,0|1,0,1]=4 6745 B12R1.385 CCNCc1ccc(c(c1)F)C 270004a_100015525214_100000753222 [0,2,0,0,0,0|1,0,1]=4 6746 B12R1.385 CCNCc1ccc(c(c1)F)C 34a_100102708794_100000210202 [0,2,0,0,0,0|1,0,1]=4 6747 B12R1.385 CCNCc1ccc(c(c1)I)C 207a_100015525214_100010197721 [0,2,0,0,0,0|1,0,1]=4 6748 B12R1.385 CCNCc1ccc(c(c1)I)C 2230a_100015525214_100010206137 [0,2,0,0,0,0|1,0,1]=4 6749 B12R1.385 CCNCc1ccc(c(c1)I)C 270004a_100015525214_100010197721 [0,2,0,0,0,0|1,0,1]=4 6750 B12R1.385 CCOCc1ccc(c(c1)Br)C 34a_100000708995_100000210202 [0,2,0,0,0,0|1,0,1]=4 6751 B12R1.385 CCOCc1ccc(c(c1)Br)C 34a_100121572206_100012232412 [0,2,0,0,0,0|1,0,1]=4 6752 B12R1.385 CCOCc1ccc(c(c1)Br)C 7a_100000708995_100000210202 [0,2,0,0,0,0|1,0,1]=4 6753 B12R1.385 CCOCc1ccc(c(c1)C)C 34a_100011215342_100000210202 [0,2,0,0,0,0|1,0,1]=4 6754 B12R1.385 CCOCc1ccc(c(c1)C)C 34a_100121572206_100000742320 [0,2,0,0,0,0|1,0,1]=4 6755 B12R1.385 CCOCc1ccc(c(c1)C)C 7a_100011215342_100000210202 [0,2,0,0,0,0|1,0,1]=4 6756 B12R1.385 CCOCc1ccc(c(c1)Cl)C 34a_100011290783_100000210202 [0,2,0,0,0,0|1,0,1]=4 6757 B12R1.385 CCOCc1ccc(c(c1)Cl)C 34a_100121572206_100011823929 [0,2,0,0,0,0|1,0,1]=4 6758 B12R1.385 CCOCc1ccc(c(c1)Cl)C 7a_100011290783_100000210202 [0,2,0,0,0,0|1,0,1]=4 6759 B12R1.385 CCOCc1ccc(c(c1)F)C 34a_100000702247_100000210202 [0,2,0,0,0,0|1,0,1]=4 6760 B12R1.385 CCOCc1ccc(c(c1)F)C 34a_100121572206_100011217369 [0,2,0,0,0,0|1,0,1]=4 6761 B12R1.385 CCOCc1ccc(c(c1)F)C 7a_100000702247_100000210202 [0,2,0,0,0,0|1,0,1]=4 6762 B12R1.385 CCOCc1ccc(c(c1)I)C 34a_100000050133_100000210202 [0,2,0,0,0,0|1,0,1]=4 6763 B12R1.385 CCOCc1ccc(c(c1)I)C 34a_100121572206_100010206137 [0,2,0,0,0,0|1,0,1]=4 6764 B12R1.385 CCOCc1ccc(c(c1)I)C 7a_100000050133_100000210202 [0,2,0,0,0,0|1,0,1]=4 6765 B12R1.385 CCOCc1ccc(c(c1)N)C 34a_100000758420_100000210202 [0,2,0,0,0,0|1,0,1]=4 6766 B12R1.385 CCSCc1ccc(c(c1)Br)C 62a_100000210202_100012232412 [0,2,0,0,0,0|1,0,1]=4 6767 B12R1.385 CCSCc1ccc(c(c1)Br)C 62a_100012232412_100000210202 [0,2,0,0,0,0|1,0,1]=4 6768 B12R1.385 CCSCc1ccc(c(c1)C)C 62a_100000210202_100000742320 [0,2,0,0,0,0|1,0,1]=4 6769 B12R1.385 CCSCc1ccc(c(c1)C)C 62a_100000742320_100000210202 [0,2,0,0,0,0|1,0,1]=4 6770 B12R1.385 CCSCc1ccc(c(c1)Cl)C 62a_100000210202_100011823929 [0,2,0,0,0,0|1,0,1]=4 6771 B12R1.385 CCSCc1ccc(c(c1)Cl)C 62a_100011823929_100000210202 [0,2,0,0,0,0|1,0,1]=4 6772 B12R1.385 CCSCc1ccc(c(c1)F)C 62a_100000210202_100011217369 [0,2,0,0,0,0|1,0,1]=4 6773 B12R1.385 CCSCc1ccc(c(c1)F)C 62a_100011217369_100000210202 [0,2,0,0,0,0|1,0,1]=4 6774 B12R1.385 CCSCc1ccc(c(c1)I)C 62a_100000210202_100010206137 [0,2,0,0,0,0|1,0,1]=4 6775 B12R1.385 CCSCc1ccc(c(c1)I)C 62a_100010206137_100000210202 [0,2,0,0,0,0|1,0,1]=4 6776 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [0,2,0,0,0,0|1,0,1]=4 6777 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [0,2,0,0,0,0|1,0,1]=4 6778 B12R1.385 COCNc1ccc(c(c1)Br)C 2230a_100000736455_100000766300 [0,2,0,0,0,0|2,0,0]=4 6779 B12R1.385 COCNc1ccc(c(c1)C)C 2230a_100000724040_100000766300 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.385 COCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000766300 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.385 COCNc1ccc(c(c1)F)C 2230a_100000210958_100000766300 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.385 COCOc1ccc(c(c1)O)C 271570a_203496583355_200015918306 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.385 COCSc1ccc(c(c1)Br)C 62a_100000766300_100011847877 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.385 COCSc1ccc(c(c1)Br)C 62a_100011847877_100000766300 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.385 COCSc1ccc(c(c1)C)C 62a_100000766300_100011215607 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.385 COCSc1ccc(c(c1)C)C 62a_100011215607_100000766300 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.385 COCSc1ccc(c(c1)Cl)C 62a_100000766300_100011216363 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.385 COCSc1ccc(c(c1)Cl)C 62a_100011216363_100000766300 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.385 COCSc1ccc(c(c1)F)C 62a_100000720648_100000766300 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.385 COCSc1ccc(c(c1)F)C 62a_100000766300_100000720648 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.385 COCSc1ccc(c(c1)N)C 62a_100000761890_100000766300 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.385 COCSc1ccc(c(c1)N)C 62a_100000766300_100000761890 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.385 COCSc1ccc(c(c1)O)C 62a_100000685420_100000766300 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.385 COCSc1ccc(c(c1)O)C 62a_100000766300_100000685420 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.385 CSCNc1ccc(c(c1)Br)C 2230a_100000736455_100011218213 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.385 CSCNc1ccc(c(c1)Br)C 34a_100000736455_100011218213 [0,2,0,0,0,0|2,0,0]=4 6797 B12R1.385 CSCNc1ccc(c(c1)C)C 2230a_100000724040_100011218213 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.385 CSCNc1ccc(c(c1)C)C 34a_100000724040_100011218213 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.385 CSCNc1ccc(c(c1)Cl)C 2230a_100000188892_100011218213 [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.385 CSCNc1ccc(c(c1)Cl)C 34a_100000188892_100011218213 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.385 CSCNc1ccc(c(c1)F)C 2230a_100000210958_100011218213 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.385 CSCNc1ccc(c(c1)F)C 34a_100000210958_100011218213 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.385 CSCNc1ccc(c(c1)I)C 34a_100000184131_100011218213 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.385 CSCNc1ccc(c(c1)O)C 34a_100000759471_100011218213 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.385 CSCOc1ccc(c(c1)Br)C 34a_100011380479_100011218213 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.385 CSCOc1ccc(c(c1)C)C 34a_100000210932_100011218213 [0,2,0,0,0,0|2,0,0]=4 6807 B12R1.385 CSCOc1ccc(c(c1)Cl)C 34a_100011265682_100011218213 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.385 CSCOc1ccc(c(c1)F)C 34a_100000722560_100011218213 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.385 CSCOc1ccc(c(c1)N)C 34a_100011216113_100011218213 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.385 CSCSc1ccc(c(c1)Br)C 62a_100011218213_100011847877 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.385 CSCSc1ccc(c(c1)Br)C 62a_100011847877_100011218213 [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.385 CSCSc1ccc(c(c1)C)C 62a_100011215607_100011218213 [0,2,0,0,0,0|2,0,0]=4 6813 B12R1.385 CSCSc1ccc(c(c1)C)C 62a_100011218213_100011215607 [0,2,0,0,0,0|2,0,0]=4 6814 B12R1.385 CSCSc1ccc(c(c1)Cl)C 62a_100011216363_100011218213 [0,2,0,0,0,0|2,0,0]=4 6815 B12R1.385 CSCSc1ccc(c(c1)Cl)C 62a_100011218213_100011216363 [0,2,0,0,0,0|2,0,0]=4 6816 B12R1.385 CSCSc1ccc(c(c1)F)C 62a_100000720648_100011218213 [0,2,0,0,0,0|2,0,0]=4 6817 B12R1.385 CSCSc1ccc(c(c1)F)C 62a_100011218213_100000720648 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.385 CSCSc1ccc(c(c1)N)C 62a_100000761890_100011218213 [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.385 CSCSc1ccc(c(c1)N)C 62a_100011218213_100000761890 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.385 CSCSc1ccc(c(c1)O)C 62a_100000685420_100011218213 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.385 CSCSc1ccc(c(c1)O)C 62a_100011218213_100000685420 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.385 Cc1cc(ccc1Br)NCC=O 2230a_100000210723_200015260668 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.385 Cc1cc(ccc1Br)NCC=O 34a_100000210723_200009817547 [0,2,0,0,0,0|1,0,0]=3 6824 B12R1.385 Cc1cc(ccc1Br)NCC=O 7a_100000210723_200015260668 [0,2,0,0,0,0|1,0,0]=3 6825 B12R1.385 Cc1cc(ccc1Br)OCC=O 34a_100000690111_200009817547 [0,2,0,0,0,0|1,0,0]=3 6826 B12R1.385 Cc1cc(ccc1Br)OCC=O 7a_100000690111_200015260668 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_100009813585_200015260668 [0,2,0,0,0,0|1,0,0]=3 6828 B12R1.385 Cc1cc(ccc1Br)SCC=O 62a_200015260668_100009813585 [0,2,0,0,0,0|1,0,0]=3 6829 B12R1.385 Cc1cc(ccc1Cl)NCC=O 2230a_100000187808_200015260668 [0,2,0,0,0,0|1,0,0]=3 6830 B12R1.385 Cc1cc(ccc1Cl)NCC=O 34a_100000187808_200009817547 [0,2,0,0,0,0|1,0,0]=3 6831 B12R1.385 Cc1cc(ccc1Cl)NCC=O 7a_100000187808_200015260668 [0,2,0,0,0,0|1,0,0]=3 6832 B12R1.385 Cc1cc(ccc1Cl)OCC=O 34a_100000211092_200009817547 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.385 Cc1cc(ccc1Cl)OCC=O 7a_100000211092_200015260668 [0,2,0,0,0,0|1,0,0]=3 6834 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_100000049509_200015260668 [0,2,0,0,0,0|1,0,0]=3 6835 B12R1.385 Cc1cc(ccc1Cl)SCC=O 62a_200015260668_100000049509 [0,2,0,0,0,0|1,0,0]=3 6836 B12R1.385 Cc1cc(ccc1F)NCC=O 2230a_100000750164_200015260668 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.385 Cc1cc(ccc1F)NCC=O 34a_100000750164_200009817547 [0,2,0,0,0,0|1,0,0]=3 6838 B12R1.385 Cc1cc(ccc1F)NCC=O 7a_100000750164_200015260668 [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.385 Cc1cc(ccc1F)OCC=O 34a_100000751312_200009817547 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.385 Cc1cc(ccc1F)OCC=O 7a_100000751312_200015260668 [0,2,0,0,0,0|1,0,0]=3 6841 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_100011218330_200015260668 [0,2,0,0,0,0|1,0,0]=3 6842 B12R1.385 Cc1cc(ccc1F)SCC=O 62a_200015260668_100011218330 [0,2,0,0,0,0|1,0,0]=3 6843 B12R1.385 Cc1cc(ccc1I)NCC=O 34a_100000198070_200009817547 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.385 Cc1cc(ccc1I)NCC=O 7a_100000198070_200015260668 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.385 Cc1cc(ccc1I)OCC=O 34a_100000729255_200009817547 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.385 Cc1cc(ccc1I)OCC=O 7a_100000729255_200015260668 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.385 Cc1cc(ccc1N)OCC=O 34a_100000756630_200009817547 [0,2,0,0,0,0|1,0,0]=3 6848 B12R1.385 Cc1cc(ccc1N)OCC=O 7a_100000756630_200015260668 [0,2,0,0,0,0|1,0,0]=3 6849 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_100000211769_200015260668 [0,2,0,0,0,0|1,0,0]=3 6850 B12R1.385 Cc1cc(ccc1N)SCC=O 62a_200015260668_100000211769 [0,2,0,0,0,0|1,0,0]=3 6851 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [0,2,0,0,0,0|1,0,0]=3 6852 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [0,2,0,0,0,0|1,0,0]=3 6853 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [0,2,0,0,0,0|1,0,0]=3 6854 B12R1.385 Cc1cc(cnc1Br)OCC=O 34a_100012000486_200009817547 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.385 Cc1cc(cnc1Br)OCC=O 7a_100012000486_200015260668 [0,2,0,0,0,0|2,0,0]=4 6856 B12R1.385 Cc1cc(cnc1Br)SCC=O 62a_100009816107_200015260668 [0,2,0,0,0,0|2,0,0]=4 6857 B12R1.385 Cc1cc(cnc1Br)SCC=O 62a_200015260668_100009816107 [0,2,0,0,0,0|2,0,0]=4 6858 B12R1.385 Cc1cc(cnc1C)OCC=O 34a_100009854398_200009817547 [0,2,0,0,0,0|1,0,0]=3 6859 B12R1.385 Cc1cc(cnc1C)OCC=O 7a_100009854398_200015260668 [0,2,0,0,0,0|1,0,0]=3 6860 B12R1.385 Cc1cc(cnc1C)SCC=O 62a_100000697892_200015260668 [0,2,0,0,0,0|1,0,0]=3 6861 B12R1.385 Cc1cc(cnc1C)SCC=O 62a_200015260668_100000697892 [0,2,0,0,0,0|1,0,0]=3 6862 B12R1.385 Cc1cc(cnc1Cl)OCC=O 34a_100012002680_200009817547 [0,2,0,0,0,0|2,0,0]=4 6863 B12R1.385 Cc1cc(cnc1Cl)OCC=O 7a_100012002680_200015260668 [0,2,0,0,0,0|2,0,0]=4 6864 B12R1.385 Cc1cc(cnc1Cl)SCC=O 62a_100009922867_200015260668 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.385 Cc1cc(cnc1Cl)SCC=O 62a_200015260668_100009922867 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.385 Cc1cc(cnc1F)OCC=O 34a_100000094615_200009817547 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.385 Cc1cc(cnc1F)OCC=O 7a_100000094615_200015260668 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.385 Cc1cc(cnc1F)SCC=O 62a_100000709442_200015260668 [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.385 Cc1cc(cnc1F)SCC=O 62a_200015260668_100000709442 [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.385 Cc1cc(cnc1N)SCC=O 62a_100000684428_200015260668 [0,2,0,0,0,0|2,0,0]=4 6871 B12R1.385 Cc1cc(cnc1N)SCC=O 62a_200015260668_100000684428 [0,2,0,0,0,0|2,0,0]=4 6872 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_100000685391_200015260668 [0,2,0,0,0,0|2,0,0]=4 6873 B12R1.385 Cc1cc(cnc1O)SCC=O 62a_200015260668_100000685391 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.385 Cc1cc(ncc1Br)OCC=O 34a_100000766222_200009817547 [0,2,0,0,0,0|2,0,0]=4 6875 B12R1.385 Cc1cc(ncc1Br)SCC=O 62a_100012356354_200015260668 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.385 Cc1cc(ncc1Br)SCC=O 62a_200015260668_100012356354 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.385 Cc1cc(ncc1Cl)OCC=O 34a_200000085746_200009817547 [0,2,0,0,0,0|2,0,0]=4 6878 B12R1.385 Cc1cc(ncc1F)SCC=O 62a_100009818257_200015260668 [0,2,0,0,0,0|2,0,0]=4 6879 B12R1.385 Cc1cc(ncc1F)SCC=O 62a_200015260668_100009818257 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.385 Cc1cc(ncc1N)SCC=O 62a_100000067204_200015260668 [0,2,0,0,0,0|2,0,0]=4 6881 B12R1.385 Cc1cc(ncc1N)SCC=O 62a_200015260668_100000067204 [0,2,0,0,0,0|2,0,0]=4 6882 B12R1.385 Cc1cc(ncc1O)SCC=O 62a_200015260668_100000692680 [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.385 Cc1ccc(c[n+]1[O-])SCC=O 62a_200015260668_100000703231 [0,2,0,0,0,0|1,0,0]=3 6884 B12R1.385 Cc1ccc(cc1Br)COCF 34a_100000708995_100015361967 [0,2,0,0,0,0|1,0,1]=4 6885 B12R1.385 Cc1ccc(cc1Br)COCF 7a_100000708995_100015361967 [0,2,0,0,0,0|1,0,1]=4 6886 B12R1.385 Cc1ccc(cc1Br)CSCF 62a_100012232412_100015361967 [0,2,0,0,0,0|1,0,1]=4 6887 B12R1.385 Cc1ccc(cc1Br)CSCF 62a_100015361967_100012232412 [0,2,0,0,0,0|1,0,1]=4 6888 B12R1.385 Cc1ccc(cc1Br)NCC#N 2230a_100000736455_100011215382 [0,2,0,0,0,0|1,0,1]=4 6889 B12R1.385 Cc1ccc(cc1Br)NCC#N 7a_100000736455_100011215382 [0,2,0,0,0,0|1,0,1]=4 6890 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [0,2,0,0,0,0|0,0,0]=2 6891 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [0,2,0,0,0,0|0,0,0]=2 6892 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [0,2,0,0,0,0|0,0,0]=2 6893 B12R1.385 Cc1ccc(cc1Br)NCCF 2230a_100000736455_100011217306 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.385 Cc1ccc(cc1Br)NCCF 34a_100000736455_100011217306 [0,2,0,0,0,0|1,0,1]=4 6895 B12R1.385 Cc1ccc(cc1Br)NCCF 7a_100000736455_100011217306 [0,2,0,0,0,0|1,0,1]=4 6896 B12R1.385 Cc1ccc(cc1Br)NCCO 2230a_100000736455_100000211926 [0,2,0,0,0,0|0,0,2]=4 6897 B12R1.385 Cc1ccc(cc1Br)NCCO 34a_100000736455_100000211926 [0,2,0,0,0,0|0,0,2]=4 6898 B12R1.385 Cc1ccc(cc1Br)NCCO 7a_100000736455_100000211926 [0,2,0,0,0,0|0,0,2]=4 6899 B12R1.385 Cc1ccc(cc1Br)OCC#N 7a_100011380479_100011215382 [0,2,0,0,0,0|1,0,1]=4 6900 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [0,2,0,0,0,0|0,0,0]=2 6901 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [0,2,0,0,0,0|0,0,0]=2 6902 B12R1.385 Cc1ccc(cc1Br)OCCF 34a_100011380479_100011217306 [0,2,0,0,0,0|1,0,1]=4 6903 B12R1.385 Cc1ccc(cc1Br)OCCF 7a_100011380479_100011217306 [0,2,0,0,0,0|1,0,1]=4 6904 B12R1.385 Cc1ccc(cc1Br)OCCO 34a_100011380479_100000211926 [0,2,0,0,0,0|0,0,2]=4 6905 B12R1.385 Cc1ccc(cc1Br)OCCO 7a_100011380479_100000211926 [0,2,0,0,0,0|0,0,2]=4 6906 B12R1.385 Cc1ccc(cc1Br)SCC#N 62a_100011215382_100011847877 [0,2,0,0,0,0|1,0,1]=4 6907 B12R1.385 Cc1ccc(cc1Br)SCC#N 62a_100011847877_100011215382 [0,2,0,0,0,0|1,0,1]=4 6908 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [0,2,0,0,0,0|0,0,0]=2 6909 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [0,2,0,0,0,0|0,0,0]=2 6910 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011217306_100011847877 [0,2,0,0,0,0|1,0,1]=4 6911 B12R1.385 Cc1ccc(cc1Br)SCCF 62a_100011847877_100011217306 [0,2,0,0,0,0|1,0,1]=4 6912 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100000211926_100011847877 [0,2,0,0,0,0|0,0,2]=4 6913 B12R1.385 Cc1ccc(cc1Br)SCCO 62a_100011847877_100000211926 [0,2,0,0,0,0|0,0,2]=4 6914 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [0,2,0,0,0,0|1,0,1]=4 6915 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [0,2,0,0,0,0|1,0,1]=4 6916 B12R1.385 Cc1ccc(cc1C)CNCF 34a_100025706692_100015361967 [0,2,0,0,0,0|1,0,1]=4 6917 B12R1.385 Cc1ccc(cc1C)COCF 34a_100011215342_100015361967 [0,2,0,0,0,0|1,0,1]=4 6918 B12R1.385 Cc1ccc(cc1C)COCF 7a_100011215342_100015361967 [0,2,0,0,0,0|1,0,1]=4 6919 B12R1.385 Cc1ccc(cc1C)CSCF 62a_100000742320_100015361967 [0,2,0,0,0,0|1,0,1]=4 6920 B12R1.385 Cc1ccc(cc1C)CSCF 62a_100015361967_100000742320 [0,2,0,0,0,0|1,0,1]=4 6921 B12R1.385 Cc1ccc(cc1C)NCC#N 2230a_100000724040_100011215382 [0,2,0,0,0,0|1,0,1]=4 6922 B12R1.385 Cc1ccc(cc1C)NCC#N 7a_100000724040_100011215382 [0,2,0,0,0,0|1,0,1]=4 6923 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [0,2,0,0,0,0|0,0,0]=2 6924 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [0,2,0,0,0,0|0,0,0]=2 6925 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [0,2,0,0,0,0|0,0,0]=2 6926 B12R1.385 Cc1ccc(cc1C)NCCF 2230a_100000724040_100011217306 [0,2,0,0,0,0|1,0,1]=4 6927 B12R1.385 Cc1ccc(cc1C)NCCF 34a_100000724040_100011217306 [0,2,0,0,0,0|1,0,1]=4 6928 B12R1.385 Cc1ccc(cc1C)NCCF 7a_100000724040_100011217306 [0,2,0,0,0,0|1,0,1]=4 6929 B12R1.385 Cc1ccc(cc1C)NCCO 2230a_100000724040_100000211926 [0,2,0,0,0,0|0,0,2]=4 6930 B12R1.385 Cc1ccc(cc1C)NCCO 34a_100000724040_100000211926 [0,2,0,0,0,0|0,0,2]=4 6931 B12R1.385 Cc1ccc(cc1C)NCCO 7a_100000724040_100000211926 [0,2,0,0,0,0|0,0,2]=4 6932 B12R1.385 Cc1ccc(cc1C)OCC#N 7a_100000210932_100011215382 [0,2,0,0,0,0|1,0,1]=4 6933 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [0,2,0,0,0,0|0,0,0]=2 6934 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [0,2,0,0,0,0|0,0,0]=2 6935 B12R1.385 Cc1ccc(cc1C)OCCF 34a_100000210932_100011217306 [0,2,0,0,0,0|1,0,1]=4 6936 B12R1.385 Cc1ccc(cc1C)OCCF 7a_100000210932_100011217306 [0,2,0,0,0,0|1,0,1]=4 6937 B12R1.385 Cc1ccc(cc1C)OCCO 34a_100000210932_100000211926 [0,2,0,0,0,0|0,0,2]=4 6938 B12R1.385 Cc1ccc(cc1C)OCCO 7a_100000210932_100000211926 [0,2,0,0,0,0|0,0,2]=4 6939 B12R1.385 Cc1ccc(cc1C)SCC#N 62a_100011215382_100011215607 [0,2,0,0,0,0|1,0,1]=4 6940 B12R1.385 Cc1ccc(cc1C)SCC#N 62a_100011215607_100011215382 [0,2,0,0,0,0|1,0,1]=4 6941 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [0,2,0,0,0,0|0,0,0]=2 6942 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [0,2,0,0,0,0|0,0,0]=2 6943 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011215607_100011217306 [0,2,0,0,0,0|1,0,1]=4 6944 B12R1.385 Cc1ccc(cc1C)SCCF 62a_100011217306_100011215607 [0,2,0,0,0,0|1,0,1]=4 6945 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100000211926_100011215607 [0,2,0,0,0,0|0,0,2]=4 6946 B12R1.385 Cc1ccc(cc1C)SCCO 62a_100011215607_100000211926 [0,2,0,0,0,0|0,0,2]=4 6947 B12R1.385 Cc1ccc(cc1Cl)CNCF 34a_102495364989_100015361967 [0,2,0,0,0,0|1,0,1]=4 6948 B12R1.385 Cc1ccc(cc1Cl)COCF 34a_100011290783_100015361967 [0,2,0,0,0,0|1,0,1]=4 6949 B12R1.385 Cc1ccc(cc1Cl)COCF 7a_100011290783_100015361967 [0,2,0,0,0,0|1,0,1]=4 6950 B12R1.385 Cc1ccc(cc1Cl)CSCF 62a_100011823929_100015361967 [0,2,0,0,0,0|1,0,1]=4 6951 B12R1.385 Cc1ccc(cc1Cl)CSCF 62a_100015361967_100011823929 [0,2,0,0,0,0|1,0,1]=4 6952 B12R1.385 Cc1ccc(cc1Cl)NCC#N 2230a_100000188892_100011215382 [0,2,0,0,0,0|1,0,1]=4 6953 B12R1.385 Cc1ccc(cc1Cl)NCC#N 7a_100000188892_100011215382 [0,2,0,0,0,0|1,0,1]=4 6954 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [0,2,0,0,0,0|0,0,0]=2 6955 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [0,2,0,0,0,0|0,0,0]=2 6956 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [0,2,0,0,0,0|0,0,0]=2 6957 B12R1.385 Cc1ccc(cc1Cl)NCCF 2230a_100000188892_100011217306 [0,2,0,0,0,0|1,0,1]=4 6958 B12R1.385 Cc1ccc(cc1Cl)NCCF 34a_100000188892_100011217306 [0,2,0,0,0,0|1,0,1]=4 6959 B12R1.385 Cc1ccc(cc1Cl)NCCF 7a_100000188892_100011217306 [0,2,0,0,0,0|1,0,1]=4 6960 B12R1.385 Cc1ccc(cc1Cl)NCCO 2230a_100000188892_100000211926 [0,2,0,0,0,0|0,0,2]=4 6961 B12R1.385 Cc1ccc(cc1Cl)NCCO 34a_100000188892_100000211926 [0,2,0,0,0,0|0,0,2]=4 6962 B12R1.385 Cc1ccc(cc1Cl)NCCO 7a_100000188892_100000211926 [0,2,0,0,0,0|0,0,2]=4 6963 B12R1.385 Cc1ccc(cc1Cl)OCC#N 7a_100011265682_100011215382 [0,2,0,0,0,0|1,0,1]=4 6964 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,2,0,0,0,0|0,0,0]=2 6965 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,2,0,0,0,0|0,0,0]=2 6966 B12R1.385 Cc1ccc(cc1Cl)OCCF 34a_100011265682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6967 B12R1.385 Cc1ccc(cc1Cl)OCCF 7a_100011265682_100011217306 [0,2,0,0,0,0|1,0,1]=4 6968 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,2,0,0,0,0|0,0,2]=4 6969 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,2,0,0,0,0|0,0,2]=4 6970 B12R1.385 Cc1ccc(cc1Cl)SCC#N 62a_100011215382_100011216363 [0,2,0,0,0,0|1,0,1]=4 6971 B12R1.385 Cc1ccc(cc1Cl)SCC#N 62a_100011216363_100011215382 [0,2,0,0,0,0|1,0,1]=4 6972 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [0,2,0,0,0,0|0,0,0]=2 6973 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [0,2,0,0,0,0|0,0,0]=2 6974 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011216363_100011217306 [0,2,0,0,0,0|1,0,1]=4 6975 B12R1.385 Cc1ccc(cc1Cl)SCCF 62a_100011217306_100011216363 [0,2,0,0,0,0|1,0,1]=4 6976 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100000211926_100011216363 [0,2,0,0,0,0|0,0,2]=4 6977 B12R1.385 Cc1ccc(cc1Cl)SCCO 62a_100011216363_100000211926 [0,2,0,0,0,0|0,0,2]=4 6978 B12R1.385 Cc1ccc(cc1F)CNCF 34a_100102708794_100015361967 [0,2,0,0,0,0|1,0,1]=4 6979 B12R1.385 Cc1ccc(cc1F)COCF 34a_100000702247_100015361967 [0,2,0,0,0,0|1,0,1]=4 6980 B12R1.385 Cc1ccc(cc1F)COCF 7a_100000702247_100015361967 [0,2,0,0,0,0|1,0,1]=4 6981 B12R1.385 Cc1ccc(cc1F)CSCF 62a_100011217369_100015361967 [0,2,0,0,0,0|1,0,1]=4 6982 B12R1.385 Cc1ccc(cc1F)CSCF 62a_100015361967_100011217369 [0,2,0,0,0,0|1,0,1]=4 6983 B12R1.385 Cc1ccc(cc1F)NCC#N 2230a_100000210958_100011215382 [0,2,0,0,0,0|1,0,1]=4 6984 B12R1.385 Cc1ccc(cc1F)NCC#N 7a_100000210958_100011215382 [0,2,0,0,0,0|1,0,1]=4 6985 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [0,2,0,0,0,0|0,0,0]=2 6986 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [0,2,0,0,0,0|0,0,0]=2 6987 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [0,2,0,0,0,0|0,0,0]=2 6988 B12R1.385 Cc1ccc(cc1F)NCCF 2230a_100000210958_100011217306 [0,2,0,0,0,0|1,0,1]=4 6989 B12R1.385 Cc1ccc(cc1F)NCCF 34a_100000210958_100011217306 [0,2,0,0,0,0|1,0,1]=4 6990 B12R1.385 Cc1ccc(cc1F)NCCF 7a_100000210958_100011217306 [0,2,0,0,0,0|1,0,1]=4 6991 B12R1.385 Cc1ccc(cc1F)NCCO 2230a_100000210958_100000211926 [0,2,0,0,0,0|0,0,2]=4 6992 B12R1.385 Cc1ccc(cc1F)NCCO 34a_100000210958_100000211926 [0,2,0,0,0,0|0,0,2]=4 6993 B12R1.385 Cc1ccc(cc1F)NCCO 7a_100000210958_100000211926 [0,2,0,0,0,0|0,0,2]=4 6994 B12R1.385 Cc1ccc(cc1F)OCC#N 7a_100000722560_100011215382 [0,2,0,0,0,0|1,0,1]=4 6995 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [0,2,0,0,0,0|0,0,0]=2 6996 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [0,2,0,0,0,0|0,0,0]=2 6997 B12R1.385 Cc1ccc(cc1F)OCCF 34a_100000722560_100011217306 [0,2,0,0,0,0|1,0,1]=4 6998 B12R1.385 Cc1ccc(cc1F)OCCF 7a_100000722560_100011217306 [0,2,0,0,0,0|1,0,1]=4 6999 B12R1.385 Cc1ccc(cc1F)OCCO 34a_100000722560_100000211926 [0,2,0,0,0,0|0,0,2]=4 7000 B12R1.385 Cc1ccc(cc1F)OCCO 7a_100000722560_100000211926 [0,2,0,0,0,0|0,0,2]=4 7001 B12R1.385 Cc1ccc(cc1F)SCC#N 62a_100000720648_100011215382 [0,2,0,0,0,0|1,0,1]=4 7002 B12R1.385 Cc1ccc(cc1F)SCC#N 62a_100011215382_100000720648 [0,2,0,0,0,0|1,0,1]=4 7003 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [0,2,0,0,0,0|0,0,0]=2 7004 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [0,2,0,0,0,0|0,0,0]=2 7005 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100000720648_100011217306 [0,2,0,0,0,0|1,0,1]=4 7006 B12R1.385 Cc1ccc(cc1F)SCCF 62a_100011217306_100000720648 [0,2,0,0,0,0|1,0,1]=4 7007 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000211926_100000720648 [0,2,0,0,0,0|0,0,2]=4 7008 B12R1.385 Cc1ccc(cc1F)SCCO 62a_100000720648_100000211926 [0,2,0,0,0,0|0,0,2]=4 7009 B12R1.385 Cc1ccc(cc1I)COCF 34a_100000050133_100015361967 [0,2,0,0,0,0|1,0,1]=4 7010 B12R1.385 Cc1ccc(cc1I)COCF 7a_100000050133_100015361967 [0,2,0,0,0,0|1,0,1]=4 7011 B12R1.385 Cc1ccc(cc1I)CSCF 62a_100010206137_100015361967 [0,2,0,0,0,0|1,0,1]=4 7012 B12R1.385 Cc1ccc(cc1I)CSCF 62a_100015361967_100010206137 [0,2,0,0,0,0|1,0,1]=4 7013 B12R1.385 Cc1ccc(cc1I)NCC#N 7a_100000184131_100011215382 [0,2,0,0,0,0|1,0,1]=4 7014 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [0,2,0,0,0,0|0,0,0]=2 7015 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [0,2,0,0,0,0|0,0,0]=2 7016 B12R1.385 Cc1ccc(cc1I)NCCF 34a_100000184131_100011217306 [0,2,0,0,0,0|1,0,1]=4 7017 B12R1.385 Cc1ccc(cc1I)NCCF 7a_100000184131_100011217306 [0,2,0,0,0,0|1,0,1]=4 7018 B12R1.385 Cc1ccc(cc1I)NCCO 34a_100000184131_100000211926 [0,2,0,0,0,0|0,0,2]=4 7019 B12R1.385 Cc1ccc(cc1I)NCCO 7a_100000184131_100000211926 [0,2,0,0,0,0|0,0,2]=4 7020 B12R1.385 Cc1ccc(cc1N)COCF 34a_100000758420_100015361967 [0,2,0,0,0,0|1,0,1]=4 7021 B12R1.385 Cc1ccc(cc1N)OCC#N 7a_100011216113_100011215382 [0,2,0,0,0,0|1,0,1]=4 7022 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [0,2,0,0,0,0|0,0,0]=2 7023 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [0,2,0,0,0,0|0,0,0]=2 7024 B12R1.385 Cc1ccc(cc1N)OCCF 34a_100011216113_100011217306 [0,2,0,0,0,0|1,0,1]=4 7025 B12R1.385 Cc1ccc(cc1N)OCCF 7a_100011216113_100011217306 [0,2,0,0,0,0|1,0,1]=4 7026 B12R1.385 Cc1ccc(cc1N)OCCO 34a_100011216113_100000211926 [0,2,0,0,0,0|0,0,2]=4 7027 B12R1.385 Cc1ccc(cc1N)OCCO 7a_100011216113_100000211926 [0,2,0,0,0,0|0,0,2]=4 7028 B12R1.385 Cc1ccc(cc1N)SCC#N 62a_100000761890_100011215382 [0,2,0,0,0,0|1,0,1]=4 7029 B12R1.385 Cc1ccc(cc1N)SCC#N 62a_100011215382_100000761890 [0,2,0,0,0,0|1,0,1]=4 7030 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [0,2,0,0,0,0|0,0,0]=2 7031 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [0,2,0,0,0,0|0,0,0]=2 7032 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100000761890_100011217306 [0,2,0,0,0,0|1,0,1]=4 7033 B12R1.385 Cc1ccc(cc1N)SCCF 62a_100011217306_100000761890 [0,2,0,0,0,0|1,0,1]=4 7034 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000211926_100000761890 [0,2,0,0,0,0|0,0,2]=4 7035 B12R1.385 Cc1ccc(cc1N)SCCO 62a_100000761890_100000211926 [0,2,0,0,0,0|0,0,2]=4 7036 B12R1.385 Cc1ccc(cc1O)NCC#N 7a_100000759471_100011215382 [0,2,0,0,0,0|1,0,1]=4 7037 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [0,2,0,0,0,0|0,0,0]=2 7038 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [0,2,0,0,0,0|0,0,0]=2 7039 B12R1.385 Cc1ccc(cc1O)NCCF 34a_100000759471_100011217306 [0,2,0,0,0,0|1,0,1]=4 7040 B12R1.385 Cc1ccc(cc1O)NCCF 7a_100000759471_100011217306 [0,2,0,0,0,0|1,0,1]=4 7041 B12R1.385 Cc1ccc(cc1O)NCCO 34a_100000759471_100000211926 [0,2,0,0,0,0|0,0,2]=4 7042 B12R1.385 Cc1ccc(cc1O)NCCO 7a_100000759471_100000211926 [0,2,0,0,0,0|0,0,2]=4 7043 B12R1.385 Cc1ccc(cc1O)SCC#N 62a_100000685420_100011215382 [0,2,0,0,0,0|1,0,1]=4 7044 B12R1.385 Cc1ccc(cc1O)SCC#N 62a_100011215382_100000685420 [0,2,0,0,0,0|1,0,1]=4 7045 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [0,2,0,0,0,0|0,0,0]=2 7046 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [0,2,0,0,0,0|0,0,0]=2 7047 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100000685420_100011217306 [0,2,0,0,0,0|1,0,1]=4 7048 B12R1.385 Cc1ccc(cc1O)SCCF 62a_100011217306_100000685420 [0,2,0,0,0,0|1,0,1]=4 7049 B12R1.385 Cc1ccc(cc1O)SCCO 271570a_203496583355_100010989109 [0,2,0,0,0,0|0,0,2]=4 7050 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000211926_100000685420 [0,2,0,0,0,0|0,0,2]=4 7051 B12R1.385 Cc1ccc(cc1O)SCCO 62a_100000685420_100000211926 [0,2,0,0,0,0|0,0,2]=4 7052 B12R1.385 Cc1ccc(nc1C)SCC=O 62a_100000103781_200015260668 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.385 Cc1ccc(nc1C)SCC=O 62a_200015260668_100000103781 [0,2,0,0,0,0|1,0,0]=3 7054 B12R1.385 Cc1ccc(nc1N)SCC=O 62a_100009857032_200015260668 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.385 Cc1ccc(nc1N)SCC=O 62a_200015260668_100009857032 [0,2,0,0,0,0|1,0,0]=3 7056 B12R1.385 Cc1cnc(cc1Br)OCC=O 34a_100009831917_200009817547 [0,2,0,0,0,0|1,0,0]=3 7057 B12R1.385 Cc1cnc(cc1C)SCC=O 62a_100009850809_200015260668 [0,2,0,0,0,0|1,0,0]=3 7058 B12R1.385 Cc1cnc(cc1C)SCC=O 62a_200015260668_100009850809 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.385 Cc1cnc(cc1F)SCC=O 62a_100009841206_200015260668 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.385 Cc1cnc(cc1F)SCC=O 62a_200015260668_100009841206 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.385 Cc1cnc(cc1N)SCC=O 62a_100000126663_200015260668 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.385 Cc1cnc(cc1N)SCC=O 62a_200015260668_100000126663 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.385 Cc1cnc(cc1O)SCC=O 62a_100000704368_200015260668 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.385 Cc1cnc(cc1O)SCC=O 62a_200015260668_100000704368 [0,2,0,0,0,0|1,0,0]=3 7065 B12R1.385 Cc1cnc(nc1N)SCC=O 62a_100011996698_200015260668 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.385 Cc1cnc(nc1N)SCC=O 62a_200015260668_100011996698 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.385 Cc1nc(ccc1Br)OCC=O 34a_100000691680_200009817547 [0,2,0,0,0,0|2,0,0]=4 7068 B12R1.385 Cc1nc(ccc1Br)SCC=O 62a_100012360386_200015260668 [0,2,0,0,0,0|2,0,0]=4 7069 B12R1.385 Cc1nc(ccc1Br)SCC=O 62a_200015260668_100012360386 [0,2,0,0,0,0|2,0,0]=4 7070 B12R1.385 Cc1nc(ccc1Cl)OCC=O 34a_200009863735_200009817547 [0,2,0,0,0,0|2,0,0]=4 7071 B12R1.385 Cc1nc(ccc1F)SCC=O 62a_100009814307_200015260668 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.385 Cc1nc(ccc1F)SCC=O 62a_200015260668_100009814307 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.385 Cc1nc(ccc1N)SCC=O 62a_100000720120_200015260668 [0,2,0,0,0,0|2,0,0]=4 7074 B12R1.385 Cc1nc(ccc1N)SCC=O 62a_200015260668_100000720120 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_100010233687_200015260668 [0,2,0,0,0,0|2,0,0]=4 7076 B12R1.385 Cc1nc(ccc1O)SCC=O 62a_200015260668_100010233687 [0,2,0,0,0,0|2,0,0]=4 7077 B12R1.385 Cc1ncc(cc1Br)OCC=O 34a_100009819603_200009817547 [0,2,0,0,0,0|1,0,0]=3 7078 B12R1.385 Cc1ncc(cc1Br)OCC=O 7a_100009819603_200015260668 [0,2,0,0,0,0|1,0,0]=3 7079 B12R1.385 Cc1ncc(cc1F)SCC=O 62a_100009845756_200015260668 [0,2,0,0,0,0|1,0,0]=3 7080 B12R1.385 Cc1ncc(cc1F)SCC=O 62a_200015260668_100009845756 [0,2,0,0,0,0|1,0,0]=3 7081 B12R1.385 Cc1ncc(cc1N)SCC=O 62a_100011999542_200015260668 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.385 Cc1ncc(cc1N)SCC=O 62a_200015260668_100011999542 [0,2,0,0,0,0|1,0,0]=3 7083 B12R1.385 Cc1ncc(cc1O)SCC=O 62a_100009864810_200015260668 [0,2,0,0,0,0|1,0,0]=3 7084 B12R1.385 Cc1ncc(cc1O)SCC=O 62a_200015260668_100009864810 [0,2,0,0,0,0|1,0,0]=3 7085 B12R1.385 Cc1ncc(nc1C)OCC=O 34a_200000700380_200009817547 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.385 Cc1ncc(nc1C)SCC=O 62a_100009878948_200015260668 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.385 Cc1ncc(nc1C)SCC=O 62a_200015260668_100009878948 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.385 Cn1cc(ccc1=O)SCC=O 62a_100011245003_200015260668 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.385 Cn1cc(ccc1=O)SCC=O 62a_200015260668_100011245003 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.385 Cn1ccc(cc1=O)SCC=O 62a_100009820031_200015260668 [0,2,0,0,0,0|1,0,0]=3 7091 B12R1.385 Cn1ccc(cc1=O)SCC=O 62a_200015260668_100009820031 [0,2,0,0,0,0|1,0,0]=3 7092 B12R1.385 Cn1cnc(cc1=O)SCC=O 62a_100012179353_200015260668 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.385 Cn1cnc(cc1=O)SCC=O 62a_200015260668_100012179353 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.385 Cn1ncc(cc1=O)SCC=O 62a_200010986246_200015260668 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.385 Cn1ncc(cc1=O)SCC=O 62a_200015260668_200010986246 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.385 Nc1cc(ccc1Br)OCC=O 34a_100011999798_200009817547 [0,2,0,0,0,0|1,0,0]=3 7097 B12R1.385 Nc1cc(ccc1Br)OCC=O 7a_100011999798_200015260668 [0,2,0,0,0,0|1,0,0]=3 7098 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_100000750456_200015260668 [0,2,0,0,0,0|1,0,0]=3 7099 B12R1.385 Nc1cc(ccc1Br)SCC=O 62a_200015260668_100000750456 [0,2,0,0,0,0|1,0,0]=3 7100 B12R1.385 Nc1cc(ccc1Cl)OCC=O 34a_100011934297_200009817547 [0,2,0,0,0,0|1,0,0]=3 7101 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200000761891_200015260668 [0,2,0,0,0,0|1,0,0]=3 7102 B12R1.385 Nc1cc(ccc1Cl)SCC=O 62a_200015260668_200000761891 [0,2,0,0,0,0|1,0,0]=3 7103 B12R1.385 Nc1cc(ccc1F)OCC=O 34a_100012017239_200009817547 [0,2,0,0,0,0|1,0,0]=3 7104 B12R1.385 Nc1cc(ccc1F)OCC=O 7a_100012017239_200015260668 [0,2,0,0,0,0|1,0,0]=3 7105 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_100000740924_200015260668 [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.385 Nc1cc(ccc1F)SCC=O 62a_200015260668_100000740924 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [0,2,0,0,0,0|1,0,0]=3 7109 B12R1.385 Nc1cc(cnc1Cl)SCC=O 62a_100009828400_200015260668 [0,2,0,0,0,0|2,0,0]=4 7110 B12R1.385 Nc1cc(cnc1Cl)SCC=O 62a_200015260668_100009828400 [0,2,0,0,0,0|2,0,0]=4 7111 B12R1.385 Nc1cc(cnc1F)SCC=O 62a_100009816798_200015260668 [0,2,0,0,0,0|2,0,0]=4 7112 B12R1.385 Nc1cc(cnc1F)SCC=O 62a_200015260668_100009816798 [0,2,0,0,0,0|2,0,0]=4 7113 B12R1.385 Nc1cc(cnc1N)SCC=O 62a_100000184470_200015260668 [0,2,0,0,0,0|2,0,0]=4 7114 B12R1.385 Nc1cc(cnc1N)SCC=O 62a_200015260668_100000184470 [0,2,0,0,0,0|2,0,0]=4 7115 B12R1.385 Nc1cc(cnc1O)SCC=O 62a_100000743729_200015260668 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.385 Nc1cc(cnc1O)SCC=O 62a_200015260668_100000743729 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.385 Nc1cc(ncc1F)SCC=O 62a_100000126464_200015260668 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.385 Nc1cc(ncc1F)SCC=O 62a_200015260668_100000126464 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.385 Nc1cc(ncc1O)SCC=O 62a_100009819941_200015260668 [0,2,0,0,0,0|2,0,0]=4 7120 B12R1.385 Nc1cc(ncc1O)SCC=O 62a_200015260668_100009819941 [0,2,0,0,0,0|2,0,0]=4 7121 B12R1.385 Nc1ccc(cc1Br)OCC=O 34a_100012001276_200009817547 [0,2,0,0,0,0|1,0,0]=3 7122 B12R1.385 Nc1ccc(cc1Br)OCC=O 7a_100012001276_200015260668 [0,2,0,0,0,0|1,0,0]=3 7123 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_100000750455_200015260668 [0,2,0,0,0,0|1,0,0]=3 7124 B12R1.385 Nc1ccc(cc1Br)SCC=O 62a_200015260668_100000750455 [0,2,0,0,0,0|1,0,0]=3 7125 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_100011218065_200015260668 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.385 Nc1ccc(cc1Cl)SCC=O 62a_200015260668_100011218065 [0,2,0,0,0,0|1,0,0]=3 7129 B12R1.385 Nc1ccc(cc1F)OCC=O 34a_100000759473_200009817547 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.385 Nc1ccc(cc1F)OCC=O 7a_100000759473_200015260668 [0,2,0,0,0,0|1,0,0]=3 7131 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_100011215594_200015260668 [0,2,0,0,0,0|1,0,0]=3 7132 B12R1.385 Nc1ccc(cc1F)SCC=O 62a_200015260668_100011215594 [0,2,0,0,0,0|1,0,0]=3 7133 B12R1.385 Nc1ccc(cc1I)OCC=O 34a_100010084370_200009817547 [0,2,0,0,0,0|1,0,0]=3 7134 B12R1.385 Nc1ccc(cc1I)OCC=O 7a_100010084370_200015260668 [0,2,0,0,0,0|1,0,0]=3 7135 B12R1.385 Nc1ccc(cc1N)OCC=O 34a_100025771000_200009817547 [0,2,0,0,0,0|1,0,0]=3 7136 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_100000741789_200015260668 [0,2,0,0,0,0|1,0,0]=3 7137 B12R1.385 Nc1ccc(cc1N)SCC=O 62a_200015260668_100011534411 [0,2,0,0,0,0|1,0,0]=3 7138 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_100000739049_200015260668 [0,2,0,0,0,0|1,0,0]=3 7139 B12R1.385 Nc1ccc(cc1O)SCC=O 62a_200015260668_100000739049 [0,2,0,0,0,0|1,0,0]=3 7140 B12R1.385 Nc1ccc(nc1Cl)SCC=O 62a_200010233646_200015260668 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.385 Nc1ccc(nc1Cl)SCC=O 62a_200015260668_200010233646 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.385 Nc1ccc(nc1F)SCC=O 62a_100009856439_200015260668 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.385 Nc1ccc(nc1F)SCC=O 62a_200015260668_100009856439 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.385 Nc1ccc(nc1N)SCC=O 62a_100000747239_200015260668 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.385 Nc1ccc(nc1O)SCC=O 62a_100000718904_200015260668 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.385 Nc1cnc(cc1N)SCC=O 62a_100000067514_200015260668 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.385 Nc1cnc(cc1N)SCC=O 62a_200015260668_100000067514 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.385 Nc1nc(ccc1F)SCC=O 62a_100016091773_200015260668 [0,2,0,0,0,0|2,0,0]=4 7149 B12R1.385 Nc1nc(ccc1F)SCC=O 62a_200015260668_100016091773 [0,2,0,0,0,0|2,0,0]=4 7150 B12R1.385 Nc1nc(ccc1O)SCC=O 62a_100000685527_200015260668 [0,2,0,0,0,0|2,0,0]=4 7151 B12R1.385 Nc1nc(ccc1O)SCC=O 62a_200015260668_100000685527 [0,2,0,0,0,0|2,0,0]=4 7152 B12R1.385 Nc1ncc(cc1Br)SCC=O 62a_100012353989_200015260668 [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.385 Nc1ncc(cc1Br)SCC=O 62a_200015260668_100012353989 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.385 Nc1ncc(cc1Cl)SCC=O 62a_100012356299_200015260668 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.385 Nc1ncc(cc1Cl)SCC=O 62a_200015260668_100012356299 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.385 Nc1ncc(cc1F)SCC=O 62a_100000693161_200015260668 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.385 Nc1ncc(cc1F)SCC=O 62a_200015260668_100000693161 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.385 Nc1ncc(cc1O)SCC=O 62a_100009819042_200015260668 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.385 Nc1ncc(cc1O)SCC=O 62a_200015260668_100009819042 [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 2230a_100011306057_200015260668 [0,2,0,0,0,0|1,0,0]=3 7161 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 34a_100011306057_200009817547 [0,2,0,0,0,0|1,0,0]=3 7162 B12R1.385 O=CCNc1ccc(c(c1)Br)Br 7a_100011306057_200015260668 [0,2,0,0,0,0|1,0,0]=3 7163 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 2230a_100000686031_200015260668 [0,2,0,0,0,0|1,0,0]=3 7164 B12R1.385 O=CCNc1ccc(c(c1)Br)Cl 34a_100000686031_200009817547 [0,2,0,0,0,0|1,0,0]=3 7165 B12R1.385 O=CCNc1ccc(c(c1)Br)F 2230a_100000760356_200015260668 [0,2,0,0,0,0|1,0,0]=3 7166 B12R1.385 O=CCNc1ccc(c(c1)Br)F 34a_100000760356_200009817547 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.385 O=CCNc1ccc(c(c1)Br)F 7a_100000760356_200015260668 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.385 O=CCNc1ccc(c(c1)Br)I 34a_100000750458_200009817547 [0,2,0,0,0,0|1,0,0]=3 7169 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [0,2,0,0,0,0|1,0,0]=3 7170 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 2230a_100000687081_200015260668 [0,2,0,0,0,0|1,0,0]=3 7171 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 34a_100000687081_200009817547 [0,2,0,0,0,0|1,0,0]=3 7172 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 7a_100000687081_200015260668 [0,2,0,0,0,0|1,0,0]=3 7173 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200015260668 [0,2,0,0,0,0|1,0,0]=3 7174 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl 34a_100000184108_200009817547 [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 2230a_100000211060_200015260668 [0,2,0,0,0,0|1,0,0]=3 7176 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 34a_100000211060_200009817547 [0,2,0,0,0,0|1,0,0]=3 7177 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 7a_100000211060_200015260668 [0,2,0,0,0,0|1,0,0]=3 7178 B12R1.385 O=CCNc1ccc(c(c1)Cl)I 34a_100000761885_200009817547 [0,2,0,0,0,0|1,0,0]=3 7179 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [0,2,0,0,0,0|1,0,0]=3 7180 B12R1.385 O=CCNc1ccc(c(c1)F)Br 2230a_100000759894_200015260668 [0,2,0,0,0,0|1,0,0]=3 7181 B12R1.385 O=CCNc1ccc(c(c1)F)Br 34a_100000759894_200009817547 [0,2,0,0,0,0|1,0,0]=3 7182 B12R1.385 O=CCNc1ccc(c(c1)F)Br 7a_100000759894_200015260668 [0,2,0,0,0,0|1,0,0]=3 7183 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 2230a_100000739366_200015260668 [0,2,0,0,0,0|1,0,0]=3 7184 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 34a_100000739366_200009817547 [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.385 O=CCNc1ccc(c(c1)F)Cl 7a_100000739366_200015260668 [0,2,0,0,0,0|1,0,0]=3 7186 B12R1.385 O=CCNc1ccc(c(c1)F)F 2230a_100000210724_200015260668 [0,2,0,0,0,0|1,0,0]=3 7187 B12R1.385 O=CCNc1ccc(c(c1)F)F 34a_100000210724_200009817547 [0,2,0,0,0,0|1,0,0]=3 7188 B12R1.385 O=CCNc1ccc(c(c1)F)F 7a_100000210724_200015260668 [0,2,0,0,0,0|1,0,0]=3 7189 B12R1.385 O=CCNc1ccc(c(c1)F)I 34a_100011356925_200009817547 [0,2,0,0,0,0|1,0,0]=3 7190 B12R1.385 O=CCNc1ccc(c(c1)F)I 7a_100011356925_200015260668 [0,2,0,0,0,0|1,0,0]=3 7191 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.385 O=CCNc1ccc(c(c1)I)Br 34a_100000750459_200009817547 [0,2,0,0,0,0|1,0,0]=3 7194 B12R1.385 O=CCNc1ccc(c(c1)I)Cl 34a_100012360549_200009817547 [0,2,0,0,0,0|1,0,0]=3 7195 B12R1.385 O=CCNc1ccc(c(c1)I)F 34a_114828291077_200009817547 [0,2,0,0,0,0|1,0,0]=3 7196 B12R1.385 O=CCNc1ccc(c(c1)I)F 7a_114828291077_200015260668 [0,2,0,0,0,0|1,0,0]=3 7197 B12R1.385 O=CCNc1ccc(c(c1)O)Cl 34a_100011934209_200009817547 [0,2,0,0,0,0|1,0,0]=3 7198 B12R1.385 O=CCNc1ccc(c(c1)O)F 34a_100012017398_200009817547 [0,2,0,0,0,0|1,0,0]=3 7199 B12R1.385 O=CCNc1ccc(c(c1)O)F 7a_100012017398_200015260668 [0,2,0,0,0,0|1,0,0]=3 7200 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [0,2,0,0,0,0|1,0,0]=3 7201 B12R1.385 O=CCOc1cc(c(cn1)Br)Cl 34a_100010369989_200009817547 [0,2,0,0,0,0|2,0,0]=4 7202 B12R1.385 O=CCOc1cc(c(cn1)Cl)Cl 34a_200000099200_200009817547 [0,2,0,0,0,0|2,0,0]=4 7203 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 34a_100011933957_200009817547 [0,2,0,0,0,0|1,0,0]=3 7204 B12R1.385 O=CCOc1ccc(c(c1)Br)Cl 7a_100011933957_200015260668 [0,2,0,0,0,0|1,0,0]=3 7205 B12R1.385 O=CCOc1ccc(c(c1)Br)F 34a_100000693481_200009817547 [0,2,0,0,0,0|1,0,0]=3 7206 B12R1.385 O=CCOc1ccc(c(c1)Br)F 7a_100000693481_200015260668 [0,2,0,0,0,0|1,0,0]=3 7207 B12R1.385 O=CCOc1ccc(c(c1)Br)I 34a_100000701344_200009817547 [0,2,0,0,0,0|1,0,0]=3 7208 B12R1.385 O=CCOc1ccc(c(c1)Br)I 7a_100000701344_200015260668 [0,2,0,0,0,0|1,0,0]=3 7209 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,2,0,0,0,0|1,0,0]=3 7210 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,2,0,0,0,0|1,0,0]=3 7211 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,2,0,0,0,0|1,0,0]=3 7212 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,2,0,0,0,0|1,0,0]=3 7213 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,2,0,0,0,0|1,0,0]=3 7214 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,2,0,0,0,0|1,0,0]=3 7215 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,2,0,0,0,0|1,0,0]=3 7216 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,2,0,0,0,0|1,0,0]=3 7217 B12R1.385 O=CCOc1ccc(c(c1)F)Br 34a_100000755031_200009817547 [0,2,0,0,0,0|1,0,0]=3 7218 B12R1.385 O=CCOc1ccc(c(c1)F)Br 7a_100000755031_200015260668 [0,2,0,0,0,0|1,0,0]=3 7219 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 34a_100000691581_200009817547 [0,2,0,0,0,0|1,0,0]=3 7220 B12R1.385 O=CCOc1ccc(c(c1)F)Cl 7a_100000691581_200015260668 [0,2,0,0,0,0|1,0,0]=3 7221 B12R1.385 O=CCOc1ccc(c(c1)F)F 34a_100000181275_200009817547 [0,2,0,0,0,0|1,0,0]=3 7222 B12R1.385 O=CCOc1ccc(c(c1)F)F 7a_100000181275_200015260668 [0,2,0,0,0,0|1,0,0]=3 7223 B12R1.385 O=CCOc1ccc(c(c1)F)I 34a_100009990212_200009817547 [0,2,0,0,0,0|1,0,0]=3 7224 B12R1.385 O=CCOc1ccc(c(c1)F)I 7a_100009990212_200015260668 [0,2,0,0,0,0|1,0,0]=3 7225 B12R1.385 O=CCOc1ccc(c(c1)I)Br 34a_100012339312_200009817547 [0,2,0,0,0,0|1,0,0]=3 7226 B12R1.385 O=CCOc1ccc(c(c1)I)Br 7a_100012339312_200015260668 [0,2,0,0,0,0|1,0,0]=3 7227 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 34a_100000049588_200009817547 [0,2,0,0,0,0|1,0,0]=3 7228 B12R1.385 O=CCOc1ccc(c(c1)I)Cl 7a_100000049588_200015260668 [0,2,0,0,0,0|1,0,0]=3 7229 B12R1.385 O=CCOc1ccc(c(n1)F)Br 34a_100009879308_200009817547 [0,2,0,0,0,0|2,0,0]=4 7230 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 34a_100012356455_200009817547 [0,2,0,0,0,0|2,0,0]=4 7231 B12R1.385 O=CCOc1cnc(c(c1)Br)Cl 7a_100012356455_200015260668 [0,2,0,0,0,0|2,0,0]=4 7232 B12R1.385 O=CCOc1cnc(c(c1)Br)F 34a_100009817267_200009817547 [0,2,0,0,0,0|2,0,0]=4 7233 B12R1.385 O=CCOc1cnc(c(c1)Br)F 7a_100009817267_200015260668 [0,2,0,0,0,0|2,0,0]=4 7234 B12R1.385 O=CCOc1cnc(c(c1)Cl)Br 34a_100010209684_200009817547 [0,2,0,0,0,0|2,0,0]=4 7235 B12R1.385 O=CCOc1cnc(c(c1)Cl)Br 7a_100010209684_200015260668 [0,2,0,0,0,0|2,0,0]=4 7236 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 34a_100000094354_200009817547 [0,2,0,0,0,0|2,0,0]=4 7237 B12R1.385 O=CCOc1cnc(c(c1)Cl)Cl 7a_100000094354_200015260668 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.385 O=CCOc1cnc(c(c1)Cl)F 34a_100000087088_200009817547 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.385 O=CCOc1cnc(c(c1)Cl)F 7a_100000087088_200015260668 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 34a_100000063512_200009817547 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.385 O=CCOc1cnc(c(c1)F)Cl 7a_100000063512_200015260668 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_200015260668 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)Br 62a_200015260668_100010125443 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_200015260668 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)F 62a_200015260668_100000723523 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)O 62a_200015260668_100009814561 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.385 O=CCSc1cc(c(cn1)F)O 62a_100009854642_200015260668 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.385 O=CCSc1cc(c(cn1)F)O 62a_200015260668_100009854642 [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_100012356285_200015260668 [0,2,0,0,0,0|1,0,0]=3 7250 B12R1.385 O=CCSc1ccc(c(c1)Br)Br 62a_200015260668_100012356285 [0,2,0,0,0,0|1,0,0]=3 7251 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_100012353702_200015260668 [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.385 O=CCSc1ccc(c(c1)Br)Cl 62a_200015260668_100012353702 [0,2,0,0,0,0|1,0,0]=3 7253 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_100012047266_200015260668 [0,2,0,0,0,0|1,0,0]=3 7254 B12R1.385 O=CCSc1ccc(c(c1)Br)F 62a_200015260668_100012047266 [0,2,0,0,0,0|1,0,0]=3 7255 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_100012047281_200015260668 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.385 O=CCSc1ccc(c(c1)Cl)Br 62a_200015260668_100012047281 [0,2,0,0,0,0|1,0,0]=3 7259 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_100011214914_200015260668 [0,2,0,0,0,0|1,0,0]=3 7260 B12R1.385 O=CCSc1ccc(c(c1)Cl)Cl 62a_200015260668_100011214914 [0,2,0,0,0,0|1,0,0]=3 7261 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_100011215976_200015260668 [0,2,0,0,0,0|1,0,0]=3 7262 B12R1.385 O=CCSc1ccc(c(c1)Cl)F 62a_200015260668_100011215976 [0,2,0,0,0,0|1,0,0]=3 7263 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [0,2,0,0,0,0|1,0,0]=3 7264 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [0,2,0,0,0,0|1,0,0]=3 7265 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_100000685389_200015260668 [0,2,0,0,0,0|1,0,0]=3 7266 B12R1.385 O=CCSc1ccc(c(c1)F)Br 62a_200015260668_100000685389 [0,2,0,0,0,0|1,0,0]=3 7267 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_100011216805_200015260668 [0,2,0,0,0,0|1,0,0]=3 7268 B12R1.385 O=CCSc1ccc(c(c1)F)Cl 62a_200015260668_100011216805 [0,2,0,0,0,0|1,0,0]=3 7269 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_100000703953_200015260668 [0,2,0,0,0,0|1,0,0]=3 7270 B12R1.385 O=CCSc1ccc(c(c1)F)F 62a_200015260668_100000703953 [0,2,0,0,0,0|1,0,0]=3 7271 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [0,2,0,0,0,0|1,0,0]=3 7272 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [0,2,0,0,0,0|1,0,0]=3 7273 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_100012356990_200015260668 [0,2,0,0,0,0|1,0,0]=3 7274 B12R1.385 O=CCSc1ccc(c(c1)O)Br 62a_200015260668_100012356990 [0,2,0,0,0,0|1,0,0]=3 7275 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_100011356854_200015260668 [0,2,0,0,0,0|1,0,0]=3 7276 B12R1.385 O=CCSc1ccc(c(c1)O)Cl 62a_200015260668_100011356854 [0,2,0,0,0,0|1,0,0]=3 7277 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_100000686035_200015260668 [0,2,0,0,0,0|1,0,0]=3 7278 B12R1.385 O=CCSc1ccc(c(c1)O)F 62a_200015260668_100000686035 [0,2,0,0,0,0|1,0,0]=3 7279 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [0,2,0,0,0,0|1,0,0]=3 7280 B12R1.385 O=CCSc1ccc(c(n1)Br)O 62a_100000725334_200015260668 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.385 O=CCSc1ccc(c(n1)Br)O 62a_200015260668_100000725334 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.385 O=CCSc1ccc(c(n1)Cl)O 62a_200015260668_100000721234 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.385 O=CCSc1ccc(c(n1)F)Br 62a_100010134343_200015260668 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.385 O=CCSc1ccc(c(n1)F)Br 62a_200015260668_100010134343 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.385 O=CCSc1ccc(c(n1)F)O 62a_100009819667_200015260668 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.385 O=CCSc1ccc(c(n1)F)O 62a_200015260668_100009819667 [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.385 O=CCSc1ccc(c(n1)O)F 62a_200015260668_100010729010 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.385 O=CCSc1cnc(c(c1)Br)Cl 62a_100010172733_200015260668 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.385 O=CCSc1cnc(c(c1)Br)Cl 62a_200015260668_100010172733 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.385 O=CCSc1cnc(c(c1)Cl)O 62a_100010238531_200015260668 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.385 O=CCSc1cnc(c(c1)Cl)O 62a_200015260668_100010238531 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.385 O=CCSc1cnc(c(c1)F)F 62a_100009817721_200015260668 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.385 O=CCSc1cnc(c(c1)F)F 62a_200015260668_100009817721 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.385 O=CCSc1cnc(c(c1)O)F 62a_100009819871_200015260668 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.385 O=CCSc1cnc(c(c1)O)F 62a_200015260668_100009819871 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,2,0,0,0,0|0,0,1]=3 7297 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,2,0,0,0,0|0,0,1]=3 7298 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,2,0,0,0,0|0,0,1]=3 7299 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,2,0,0,0,0|1,0,1]=4 7300 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,2,0,0,0,0|1,0,1]=4 7301 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,2,0,0,0,0|1,0,1]=4 7302 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,2,0,0,0,0|1,0,1]=4 7303 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,2,0,0,0,0|0,0,1]=3 7304 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,2,0,0,0,0|0,0,1]=3 7305 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,2,0,0,0,0|0,0,1]=3 7306 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,2,0,0,0,0|1,0,1]=4 7307 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,2,0,0,0,0|1,0,1]=4 7308 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,2,0,0,0,0|1,0,1]=4 7309 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,2,0,0,0,0|1,0,1]=4 7310 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,2,0,0,0,0|1,0,1]=4 7311 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,2,0,0,0,0|1,0,1]=4 7312 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,2,0,0,0,0|1,0,1]=4 7313 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,2,0,0,0,0|1,0,1]=4 7314 B12R1.4 C=Cc1ccc(cn1)CC(=O)N 271570a_100011290941_200000071513 [0,2,0,0,0,0|1,0,1]=4 7315 B12R1.4 C=Cc1ccc(nc1)CC(=O)N 271570a_100011290941_200010888337 [0,2,0,0,0,0|1,0,1]=4 7316 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,2,0,0,0,0|1,0,1]=4 7317 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,2,0,0,0,0|1,0,1]=4 7318 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,2,0,0,0,0|1,0,1]=4 7319 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,2,0,0,0,0|0,0,1]=3 7320 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,2,0,0,0,0|0,0,1]=3 7321 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,2,0,0,0,0|0,0,1]=3 7322 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,2,0,0,0,0|0,0,0]=2 7323 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,2,0,0,0,0|0,0,0]=2 7324 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,2,0,0,0,0|0,0,0]=2 7325 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,2,0,0,0,0|0,0,0]=2 7326 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,2,0,0,0,0|0,0,0]=2 7327 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,2,0,0,0,0|0,0,0]=2 7328 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,2,0,0,0,0|1,0,1]=4 7329 B12R1.4 CC(=O)Cc1ccc(nc1)C#N 1458a_100000070787_100009816919 [0,2,0,0,0,0|1,0,1]=4 7330 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,2,0,0,0,0|1,0,1]=4 7331 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,2,0,0,0,0|1,0,1]=4 7332 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,2,0,0,0,0|1,0,0]=3 7333 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,2,0,0,0,0|1,0,0]=3 7334 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,2,0,0,0,0|1,0,0]=3 7335 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,2,0,0,0,0|1,0,0]=3 7336 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,2,0,0,0,0|1,0,0]=3 7337 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,2,0,0,0,0|1,0,0]=3 7342 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,2,0,0,0,0|1,0,0]=3 7343 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,2,0,0,0,0|1,1,0]=4 7344 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,2,0,0,0,0|1,0,1]=4 7345 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,2,0,0,0,0|1,0,1]=4 7346 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,2,0,0,0,0|1,0,1]=4 7347 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,2,0,0,0,0|1,0,1]=4 7348 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|1,0,1]=4 7349 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,2,0,0,0,0|1,0,1]=4 7350 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,2,0,0,0,0|0,0,0]=2 7351 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,2,0,0,0,0|0,0,0]=2 7352 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,2,0,0,0,0|0,0,0]=2 7353 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,2,0,0,0,0|1,0,0]=3 7361 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,2,0,0,0,0|1,0,0]=3 7362 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,2,0,0,0,0|1,0,0]=3 7363 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,2,0,0,0,0|1,0,0]=3 7364 B12R1.4 CN(C)Cc1ccc(cc1)CO 2230a_100102631434_100000067286 [0,2,0,0,0,0|2,0,0]=4 7365 B12R1.4 CN(C)Cc1ccc(cc1)CO 269982a_100102631434_100000067286 [0,2,0,0,0,0|2,0,0]=4 7366 B12R1.4 CN(C)Cc1ccc(cc1)CO 270004a_100102631434_100009832023 [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,2,0,0,0,0|2,0,0]=4 7368 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,2,0,0,0,0|2,0,0]=4 7369 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,2,0,0,0,0|1,0,1]=4 7370 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,2,0,0,0,0|0,0,0]=2 7371 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,2,0,0,0,0|0,0,0]=2 7372 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,2,0,0,0,0|1,0,1]=4 7373 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,2,0,0,0,0|1,0,1]=4 7374 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,2,0,0,0,0|1,0,0]=3 7375 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,2,0,0,0,0|1,0,1]=4 7376 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,2,0,0,0,0|0,0,0]=2 7377 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,2,0,0,0,0|0,0,0]=2 7378 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,2,0,0,0,0|0,0,0]=2 7379 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,2,0,0,0,0|0,0,0]=2 7380 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,2,0,0,0,0|0,0,0]=2 7381 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,2,0,0,0,0|1,0,1]=4 7382 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,2,0,0,0,0|2,0,0]=4 7386 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,2,0,0,0,0|1,0,0]=3 7390 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,2,0,0,0,0|1,0,0]=3 7391 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,2,0,0,0,0|1,0,0]=3 7392 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,2,0,0,0,0|1,0,0]=3 7393 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,2,0,0,0,0|1,0,0]=3 7394 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,2,0,0,0,0|1,0,0]=3 7395 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,2,0,0,0,0|1,0,0]=3 7396 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,2,0,0,0,0|1,0,0]=3 7397 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,2,0,0,0,0|1,0,0]=3 7398 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 7402 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,2,0,0,0,0|2,0,0]=4 7403 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [0,2,0,0,0,0|1,0,1]=4 7404 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [0,2,0,0,0,0|1,0,1]=4 7405 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,2,0,0,0,0|1,0,1]=4 7406 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [0,2,0,0,0,0|1,0,1]=4 7407 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [0,2,0,0,0,0|1,0,1]=4 7408 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,2,0,0,0,0|0,0,0]=2 7409 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,2,0,0,0,0|0,0,0]=2 7410 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,2,0,0,0,0|0,0,0]=2 7411 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,2,0,0,0,0|0,0,0]=2 7412 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,2,0,0,0,0|0,0,0]=2 7413 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,2,0,0,0,0|0,0,0]=2 7414 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,2,0,0,0,0|0,0,0]=2 7415 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,2,0,0,0,0|1,0,1]=4 7416 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,2,0,0,0,0|1,0,1]=4 7417 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,2,0,0,0,0|1,0,0]=3 7427 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,2,0,0,0,0|1,0,0]=3 7428 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,2,0,0,0,0|1,0,0]=3 7429 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,2,0,0,0,0|1,0,0]=3 7430 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,2,0,0,0,0|1,0,0]=3 7431 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,2,0,0,0,0|1,0,0]=3 7432 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,2,0,0,0,0|1,1,0]=4 7433 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,2,0,0,0,0|1,0,0]=3 7434 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,2,0,0,0,0|1,0,0]=3 7435 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,2,0,0,0,0|1,0,0]=3 7436 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,2,0,0,0,0|1,0,0]=3 7438 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,2,0,0,0,0|1,0,0]=3 7439 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,2,0,0,0,0|2,0,0]=4 7440 B12R1.4 CSc1ccc(nn1)CC(=O)N 62a_100015841783_200000210301 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.4 CSc1ccc(nn1)CC(=O)N 62a_200000210301_100015841783 [0,2,0,0,0,0|2,0,0]=4 7442 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,2,0,0,0,0|0,0,1]=3 7443 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,2,0,0,0,0|0,0,0]=2 7444 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,2,0,0,0,0|0,0,0]=2 7445 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,2,0,0,0,0|0,0,0]=2 7446 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,2,0,0,0,0|0,0,0]=2 7447 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [0,2,0,0,0,0|1,0,1]=4 7448 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [0,2,0,0,0,0|1,0,1]=4 7449 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [0,2,0,0,0,0|1,0,1]=4 7450 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [0,2,0,0,0,0|1,0,1]=4 7451 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,2,0,0,0,0|0,0,0]=2 7452 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,2,0,0,0,0|0,0,0]=2 7453 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,2,0,0,0,0|1,0,0]=3 7454 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,2,0,0,0,0|1,0,0]=3 7455 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,2,0,0,0,0|1,0,0]=3 7456 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,2,0,0,0,0|1,0,0]=3 7457 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,2,0,0,0,0|1,0,0]=3 7458 B12R1.4 [13CH3]Sc1ccc(nn1)CC(=O)N 62a_100015841783_200025704644 [0,2,0,0,0,0|2,0,0]=4 7459 B12R1.4 [13CH3]Sc1ccc(nn1)CC(=O)N 62a_200025704644_100015841783 [0,2,0,0,0,0|2,0,0]=4 7460 B12R1.19 CC(=Cc1ccc(c(c1)Br)C)C 271570a_100102525489_100011847877 [0,2,0,0,0,0|1,0,1]=4 7461 B12R1.19 CC(=Cc1ccc(c(c1)C)C)C 271570a_100102525489_100011215607 [0,2,0,0,0,0|1,0,1]=4 7462 B12R1.19 CC(=Cc1ccc(c(c1)Cl)C)C 271570a_100102525489_100011216363 [0,2,0,0,0,0|1,0,1]=4 7463 B12R1.19 CC(=Cc1ccc(c(c1)F)C)C 271570a_100102525489_100000720648 [0,2,0,0,0,0|1,0,1]=4 7464 B12R1.19 CC(=Cc1ccc(c(c1)N)C)C 271570a_100102525489_100000761890 [0,2,0,0,0,0|1,0,1]=4 7465 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,2,0,0,0,0|1,0,1]=4 7466 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,2,0,0,0,0|2,0,0]=4 7467 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,2,0,0,0,0|1,0,0]=3 7468 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,2,0,0,0,0|0,0,0]=2 7469 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,2,0,0,0,0|0,0,0]=2 7470 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,2,0,0,0,0|1,0,0]=3 7471 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,2,0,0,0,0|1,0,0]=3 7472 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,2,0,0,0,0|1,0,0]=3 7473 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,2,0,0,0,0|1,0,0]=3 7474 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,2,0,0,0,0|1,0,0]=3 7475 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,2,0,0,0,0|1,0,0]=3 7476 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,2,0,0,0,0|0,0,0]=2 7478 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,2,0,0,0,0|0,0,0]=2 7479 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,2,0,0,0,0|1,0,0]=3 7484 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,2,0,0,0,0|1,0,0]=3 7485 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,2,0,0,0,0|0,0,0]=2 7486 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,2,0,0,0,0|1,0,0]=3 7487 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,2,0,0,0,0|1,0,0]=3 7488 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,2,0,0,0,0|1,0,0]=3 7489 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,2,0,0,0,0|1,0,0]=3 7490 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,2,0,0,0,0|1,0,0]=3 7491 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,2,0,0,0,0|1,0,0]=3 7492 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,2,0,0,0,0|1,0,0]=3 7493 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,2,0,0,0,0|1,0,0]=3 7494 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,2,0,0,0,0|0,0,0]=2 7495 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,2,0,0,0,0|0,0,0]=2 7496 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,2,0,0,0,0|1,0,0]=3 7497 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,2,0,0,0,0|1,0,0]=3 7498 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,2,0,0,0,0|1,0,0]=3 7499 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,2,0,0,0,0|1,0,0]=3 7500 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,2,0,0,0,0|1,0,0]=3 7501 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,2,0,0,0,0|1,0,0]=3 7502 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,2,0,0,0,0|1,0,0]=3 7503 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,2,0,0,0,0|1,0,0]=3 7504 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,2,0,0,0,0|0,0,0]=2 7505 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,2,0,0,0,0|1,0,0]=3 7506 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,2,0,0,0,0|0,0,0]=2 7507 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,2,0,0,0,0|1,0,0]=3 7508 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,2,0,0,0,0|1,0,0]=3 7509 B12R1.19 CC(=O)Cc1cnc(c(c1)Br)F 1458a_100000070787_200010066439 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,2,0,0,0,0|2,0,0]=4 7511 B12R1.19 CC(=O)Cc1cnc(c(c1)I)Cl 1458a_100000070787_100011072623 [0,2,0,0,0,0|2,0,0]=4 7512 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,2,0,0,0,0|2,0,0]=4 7516 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,2,0,0,0,0|1,0,0]=3 7518 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,2,0,0,0,0|1,0,0]=3 7519 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,2,0,0,0,0|1,0,0]=3 7520 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,2,0,0,0,0|2,0,0]=4 7526 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,2,0,0,0,0|2,0,0]=4 7535 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,2,0,0,0,0|2,0,0]=4 7536 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,2,0,0,0,0|2,0,0]=4 7537 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,2,0,0,0,0|2,0,0]=4 7538 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,2,0,0,0,0|1,0,0]=3 7539 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,2,0,0,0,0|1,0,0]=3 7540 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,2,0,0,0,0|1,0,0]=3 7541 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,2,0,0,0,0|1,0,0]=3 7542 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,2,0,0,0,0|2,0,0]=4 7543 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,2,0,0,0,0|2,0,0]=4 7544 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,2,0,0,0,0|2,0,0]=4 7545 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,2,0,0,0,0|2,0,0]=4 7555 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,2,0,0,0,0|1,0,0]=3 7563 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,2,0,0,0,0|1,0,0]=3 7564 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,2,0,0,0,0|1,0,0]=3 7565 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,2,0,0,0,0|1,0,0]=3 7566 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,2,0,0,0,0|2,0,0]=4 7571 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,2,0,0,0,0|2,0,0]=4 7577 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,2,0,0,0,0|2,0,0]=4 7580 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,2,0,0,0,0|2,0,0]=4 7581 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,2,0,0,0,0|2,0,0]=4 7582 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,2,0,0,0,0|1,0,0]=3 7583 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,2,0,0,0,0|1,0,0]=3 7584 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,2,0,0,0,0|1,0,0]=3 7586 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,2,0,0,0,0|2,0,0]=4 7588 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,2,0,0,0,0|2,0,0]=4 7589 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,2,0,0,0,0|2,0,0]=4 7590 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,2,0,0,0,0|2,0,0]=4 7600 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,2,0,0,0,0|2,0,0]=4 7602 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,2,0,0,0,0|1,0,0]=3 7603 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,2,0,0,0,0|1,0,0]=3 7604 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,2,0,0,0,0|1,0,0]=3 7605 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,2,0,0,0,0|1,0,0]=3 7606 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,2,0,0,0,0|2,0,0]=4 7607 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,2,0,0,0,0|2,0,0]=4 7609 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,2,0,0,0,0|2,0,0]=4 7610 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,2,0,0,0,0|1,0,0]=3 7615 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,2,0,0,0,0|1,0,0]=3 7616 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,2,0,0,0,0|1,0,0]=3 7617 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,2,0,0,0,0|1,0,0]=3 7618 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,2,0,0,0,0|2,0,0]=4 7619 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,2,0,0,0,0|2,0,0]=4 7620 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,2,0,0,0,0|2,0,0]=4 7621 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,2,0,0,0,0|1,0,0]=3 7625 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,2,0,0,0,0|1,0,0]=3 7626 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,2,0,0,0,0|1,0,0]=3 7628 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,2,0,0,0,0|0,0,0]=2 7630 B12R1.19 Cc1ccc(cc1Br)CN(C)C 2230a_100102631434_100012232412 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.19 Cc1ccc(cc1Br)CN(C)C 269982a_100102631434_100012232412 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.19 Cc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000695567 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,2,0,0,0,0|0,0,0]=2 7634 B12R1.19 Cc1ccc(cc1C)CN(C)C 2230a_100015204808_200000210301 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.19 Cc1ccc(cc1C)CN(C)C 2230a_100102631434_100000742320 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.19 Cc1ccc(cc1C)CN(C)C 269982a_100015204808_200000210301 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.19 Cc1ccc(cc1C)CN(C)C 269982a_100102631434_100000742320 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.19 Cc1ccc(cc1C)CN(C)C 270004a_100102631434_100000229942 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.19 Cc1ccc(cc1C)CN(C)C 34a_100015204808_200000210301 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 2230a_100015204808_200025704644 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 269982a_100015204808_200025704644 [0,2,0,0,0,0|2,0,0]=4 7642 B12R1.19 Cc1ccc(cc1C)CN(C)[13CH3] 34a_100015204808_200025704644 [0,2,0,0,0,0|2,0,0]=4 7643 B12R1.19 Cc1ccc(cc1Cl)CN(C)C 2230a_100102631434_100011823929 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.19 Cc1ccc(cc1Cl)CN(C)C 269982a_100102631434_100011823929 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.19 Cc1ccc(cc1Cl)CN(C)C 270004a_100102631434_100000760539 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,2,0,0,0,0|0,0,0]=2 7647 B12R1.19 Cc1ccc(cc1F)CN(C)C 2230a_100102631434_100011217369 [0,2,0,0,0,0|2,0,0]=4 7648 B12R1.19 Cc1ccc(cc1F)CN(C)C 269982a_100102631434_100011217369 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.19 Cc1ccc(cc1F)CN(C)C 270004a_100102631434_100000753222 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.19 Cc1ccc(cc1I)CN(C)C 2230a_100102631434_100010206137 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.19 Cc1ccc(cc1I)CN(C)C 269982a_100102631434_100010206137 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.19 Cc1ccc(cc1I)CN(C)C 270004a_100102631434_100010197721 [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,2,0,0,0,0|0,0,0]=2 7654 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,2,0,0,0,0|1,0,0]=3 7655 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,2,0,0,0,0|1,0,0]=3 7656 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,2,0,0,0,0|1,0,0]=3 7657 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,2,0,0,0,0|1,0,0]=3 7658 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,2,0,0,0,0|1,0,0]=3 7659 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,2,0,0,0,0|1,0,0]=3 7660 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,2,0,0,0,0|1,0,0]=3 7661 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,2,0,0,0,0|1,0,0]=3 7662 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,2,0,0,0,0|1,0,0]=3 7663 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,2,0,0,0,0|1,0,0]=3 7664 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,2,0,0,0,0|1,0,0]=3 7665 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,2,0,0,0,0|1,0,0]=3 7666 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,2,0,0,0,0|1,0,0]=3 7667 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,2,0,0,0,0|1,0,1]=4 7668 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,2,0,0,0,0|1,0,0]=3 7669 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,2,0,0,0,0|0,0,0]=2 7670 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,2,0,0,0,0|0,0,0]=2 7671 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,2,0,0,0,0|1,0,0]=3 7672 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,2,0,0,0,0|1,0,0]=3 7673 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,2,0,0,0,0|1,0,0]=3 7674 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,2,0,0,0,0|1,0,0]=3 7675 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,2,0,0,0,0|1,0,0]=3 7676 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,2,0,0,0,0|1,0,0]=3 7677 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,2,0,0,0,0|1,0,0]=3 7678 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,2,0,0,0,0|1,0,0]=3 7679 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,2,0,0,0,0|1,0,0]=3 7680 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,2,0,0,0,0|1,0,0]=3 7684 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,2,0,0,0,0|1,0,0]=3 7685 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,2,0,0,0,0|1,0,0]=3 7686 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,2,0,0,0,0|0,0,0]=2 7699 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,2,0,0,0,0|1,0,0]=3 7700 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,2,0,0,0,0|1,0,0]=3 7701 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,2,0,0,0,0|1,0,0]=3 7702 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,2,0,0,0,0|1,0,0]=3 7703 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,2,0,0,0,0|0,0,0]=2 7704 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,2,0,0,0,0|0,0,0]=2 7707 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,2,0,0,0,0|1,0,1]=4 7708 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,2,0,0,0,0|1,0,0]=3 7709 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,2,0,0,0,0|1,0,0]=3 7710 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,2,0,0,0,0|1,0,0]=3 7711 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,2,0,0,0,0|1,0,0]=3 7712 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,2,0,0,0,0|1,0,0]=3 7713 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100009814647 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.106 Cc1ccc(cc1)NS(=O)(=O)C 40a_100000124888_100000738038 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.106 NS(=O)(=O)Cc1ccc(cc1)O 271570a_203496583355_100000764258 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.233 CC(=Cc1ccc(cc1Br)C)C 271570a_100102525489_100009813563 [0,2,0,0,0,0|1,0,1]=4 7717 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [0,2,0,0,0,0|1,0,1]=4 7718 B12R1.233 CC(=Cc1ccc(cc1Cl)C)C 271570a_100102525489_100011263221 [0,2,0,0,0,0|1,0,1]=4 7719 B12R1.233 CC(=Cc1ccc(cc1F)C)C 271570a_100102525489_100011216119 [0,2,0,0,0,0|1,0,1]=4 7720 B12R1.233 CC(=Cc1ccc(cc1N)C)C 271570a_100102525489_100011216686 [0,2,0,0,0,0|1,0,1]=4 7721 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,2,0,0,0,0|1,0,1]=4 7722 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100000070787_200012351560 [0,2,0,0,0,0|1,0,0]=3 7723 B12R1.233 CC(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200000210301 [0,2,0,0,0,0|1,0,0]=3 7724 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000070787_100000755608 [0,2,0,0,0,0|1,0,0]=3 7725 B12R1.233 CC(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200000210301 [0,2,0,0,0,0|1,0,0]=3 7726 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000070787_100000243222 [0,2,0,0,0,0|1,0,0]=3 7727 B12R1.233 CC(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200000210301 [0,2,0,0,0,0|1,0,0]=3 7728 B12R1.233 CC(=O)Cc1ccc(cc1Br)I 1458a_100000070787_100010146610 [0,2,0,0,0,0|1,0,0]=3 7729 B12R1.233 CC(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200000210301 [0,2,0,0,0,0|1,0,0]=3 7730 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,2,0,0,0,0|1,0,0]=3 7731 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,2,0,0,0,0|0,0,0]=2 7733 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,2,0,0,0,0|0,0,0]=2 7734 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,2,0,0,0,0|1,0,0]=3 7735 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,2,0,0,0,0|1,0,0]=3 7736 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,2,0,0,0,0|1,0,0]=3 7737 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100000070787_100011740631 [0,2,0,0,0,0|1,0,0]=3 7738 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200000210301 [0,2,0,0,0,0|1,0,0]=3 7739 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,2,0,0,0,0|0,0,0]=2 7740 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000070787_100000188473 [0,2,0,0,0,0|1,0,0]=3 7741 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200000210301 [0,2,0,0,0,0|1,0,0]=3 7742 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000070787_100011216360 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200000210301 [0,2,0,0,0,0|1,0,0]=3 7744 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100000070787_100000211606 [0,2,0,0,0,0|1,0,0]=3 7745 B12R1.233 CC(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200000210301 [0,2,0,0,0,0|1,0,0]=3 7746 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,2,0,0,0,0|0,0,0]=2 7747 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,2,0,0,0,0|0,0,0]=2 7748 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100000070787_100000709361 [0,2,0,0,0,0|1,0,0]=3 7749 B12R1.233 CC(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200000210301 [0,2,0,0,0,0|1,0,0]=3 7750 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000070787_100000748237 [0,2,0,0,0,0|1,0,0]=3 7751 B12R1.233 CC(=O)Cc1ccc(cc1F)F 1458a_100000684719_200000210301 [0,2,0,0,0,0|1,0,0]=3 7752 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100000070787_100010244991 [0,2,0,0,0,0|1,0,0]=3 7753 B12R1.233 CC(=O)Cc1ccc(cc1F)I 1458a_100010149628_200000210301 [0,2,0,0,0,0|1,0,0]=3 7754 B12R1.233 CC(=O)Cc1ccc(cc1F)O 1458a_100000090534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7755 B12R1.233 CC(=O)Cc1ccc(cc1I)Br 1458a_100000070787_100010146615 [0,2,0,0,0,0|1,0,0]=3 7756 B12R1.233 CC(=O)Cc1ccc(cc1I)Cl 1458a_100000070787_100010254388 [0,2,0,0,0,0|1,0,0]=3 7757 B12R1.233 CC(=O)Cc1ccc(cc1I)F 1458a_100000070787_100012354799 [0,2,0,0,0,0|1,0,0]=3 7758 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,2,0,0,0,0|1,0,0]=3 7759 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,2,0,0,0,0|1,0,0]=3 7760 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_100000070787_100000722033 [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.233 CC(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200000210301 [0,2,0,0,0,0|2,0,0]=4 7762 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.233 CC(=O)Cc1cnc(cc1Cl)Cl 1458a_100000070787_100011997056 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.233 CC(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200000210301 [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,2,0,0,0,0|1,0,0]=3 7766 B12R1.233 CC(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200000210301 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.233 CC(=O)Cc1ncc(cc1F)Cl 1458a_100000070787_200009879301 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.233 CC(=O)Cn1ccc(cc1=O)C 1458a_100000721392_200000210301 [0,2,0,0,0,0|1,0,0]=3 7769 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 11a_100000211012_100015343762 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100015343762 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,2,0,0,0,0|1,0,0]=3 7772 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 11a_100000752454_100015343762 [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100015343762 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 11a_100000738039_100015343762 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.233 CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100015343762 [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 11a_100000750455_100015343762 [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.233 CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100015343762 [0,2,0,0,0,0|2,0,0]=4 7779 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000070787 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.233 CC(=O)Nc1ccc(cc1Br)O 527a_100012001276_100103153847 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,2,0,0,0,0|1,0,0]=3 7785 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,2,0,0,0,0|1,0,0]=3 7786 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,2,0,0,0,0|1,0,0]=3 7787 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,2,0,0,0,0|1,0,0]=3 7788 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,2,0,0,0,0|2,0,0]=4 7795 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 11a_100000211467_100015343762 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100015343762 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,2,0,0,0,0|1,0,0]=3 7804 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,2,0,0,0,0|1,0,0]=3 7805 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,2,0,0,0,0|1,0,0]=3 7806 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 11a_100000185861_100015343762 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100015343762 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000070787 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 11a_100000212003_100015343762 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100015343762 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000070787 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 11a_100011218065_100015343762 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100015343762 [0,2,0,0,0,0|2,0,0]=4 7814 B12R1.233 CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000070787 [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000070787 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 271570a_203496583355_100011273303 [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O 527a_100011215599_100103153847 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 11a_100000210722_100015343762 [0,2,0,0,0,0|2,0,0]=4 7819 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100015343762 [0,2,0,0,0,0|2,0,0]=4 7820 B12R1.233 CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000070787 [0,2,0,0,0,0|2,0,0]=4 7821 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,2,0,0,0,0|1,0,0]=3 7824 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,2,0,0,0,0|1,0,0]=3 7825 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 11a_100000211020_100015343762 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100015343762 [0,2,0,0,0,0|2,0,0]=4 7827 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000070787 [0,2,0,0,0,0|2,0,0]=4 7828 B12R1.233 CC(=O)Nc1ccc(cc1F)F 11a_100000210720_100015343762 [0,2,0,0,0,0|2,0,0]=4 7829 B12R1.233 CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100015343762 [0,2,0,0,0,0|2,0,0]=4 7830 B12R1.233 CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000070787 [0,2,0,0,0,0|2,0,0]=4 7831 B12R1.233 CC(=O)Nc1ccc(cc1F)I 11a_100011215594_100015343762 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.233 CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100015343762 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.233 CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000070787 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.233 CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000070787 [0,2,0,0,0,0|2,0,0]=4 7835 B12R1.233 CC(=O)Nc1ccc(cc1F)O 271570a_203496583355_100000155584 [0,2,0,0,0,0|2,0,0]=4 7836 B12R1.233 CC(=O)Nc1ccc(cc1F)O 527a_100000759473_100103153847 [0,2,0,0,0,0|2,0,0]=4 7837 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 11a_100000187925_100015343762 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.233 CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100015343762 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,2,0,0,0,0|1,0,0]=3 7840 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,2,0,0,0,0|1,0,0]=3 7841 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 11a_100000761889_100015343762 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.233 CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100015343762 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.233 CC(=O)Nc1ccc(cc1I)F 11a_100000760547_100015343762 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.233 CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100015343762 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.233 CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000070787 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.233 CC(=O)Nc1ccc(cc1I)I 11a_100010002754_100015343762 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.233 CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100015343762 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.233 CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000070787 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.233 CC(=O)Nc1ccc(cc1I)O 527a_100010084370_100103153847 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.233 CC(=O)Nc1ccc(cc1N)O 271570a_203496583355_100000749274 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,2,0,0,0,0|1,0,0]=3 7855 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,2,0,0,0,0|1,0,0]=3 7856 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,2,0,0,0,0|1,0,0]=3 7857 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.233 CC(=O)Oc1ccc(cc1F)O 271570a_203496583355_100009811628 [0,2,0,0,0,0|2,0,0]=4 7868 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,2,0,0,0,0|1,0,0]=3 7869 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.233 Cc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000692596 [0,2,0,0,0,0|2,0,0]=4 7871 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,2,0,0,0,0|0,0,0]=2 7872 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100025771030_200000210301 [0,2,0,0,0,0|2,0,0]=4 7873 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 2230a_100102631434_100011219618 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100025771030_200000210301 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 269982a_100102631434_100011219618 [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100000211342 [0,2,0,0,0,0|2,0,0]=4 7877 B12R1.233 Cc1ccc(c(c1)C)CN(C)C 34a_100025771030_200000210301 [0,2,0,0,0,0|2,0,0]=4 7878 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 2230a_100025771030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 269982a_100025771030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7880 B12R1.233 Cc1ccc(c(c1)C)CN(C)[13CH3] 34a_100025771030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7881 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_100012349684 [0,2,0,0,0,0|2,0,0]=4 7882 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_100012349684 [0,2,0,0,0,0|2,0,0]=4 7883 B12R1.233 Cc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100011935181 [0,2,0,0,0,0|2,0,0]=4 7884 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,2,0,0,0,0|0,0,0]=2 7885 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011217900 [0,2,0,0,0,0|2,0,0]=4 7886 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011217900 [0,2,0,0,0,0|2,0,0]=4 7887 B12R1.233 Cc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011217368 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.233 Cc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010150104 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.233 Cc1ccn(c(=O)c1)CC(=O)[13CH3] 1458a_100000721392_200025704644 [0,2,0,0,0,0|1,0,0]=3 7890 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Br 1458a_100010172832_200025704644 [0,2,0,0,0,0|1,0,0]=3 7891 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)Cl 1458a_100000755479_200025704644 [0,2,0,0,0,0|1,0,0]=3 7892 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)F 1458a_100000708238_200025704644 [0,2,0,0,0,0|1,0,0]=3 7893 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Br)O 1458a_100010176083_200025704644 [0,2,0,0,0,0|1,0,0]=3 7894 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Br 1458a_100012361378_200025704644 [0,2,0,0,0,0|1,0,0]=3 7895 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)Cl 1458a_100000210926_200025704644 [0,2,0,0,0,0|1,0,0]=3 7896 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1Cl)F 1458a_100000690284_200025704644 [0,2,0,0,0,0|1,0,0]=3 7897 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Br 1458a_100011295475_200025704644 [0,2,0,0,0,0|1,0,0]=3 7898 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)Cl 1458a_100011830378_200025704644 [0,2,0,0,0,0|1,0,0]=3 7899 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)F 1458a_100000684719_200025704644 [0,2,0,0,0,0|1,0,0]=3 7900 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)I 1458a_100010149628_200025704644 [0,2,0,0,0,0|1,0,0]=3 7901 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1F)O 1458a_100000090534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7902 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,2,0,0,0,0|1,0,0]=3 7903 B12R1.233 [13CH3]C(=O)Cc1ccc(nc1Cl)Cl 1458a_200010067290_200025704644 [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1Br)Cl 1458a_200012351915_200025704644 [0,2,0,0,0,0|2,0,0]=4 7905 B12R1.233 [13CH3]C(=O)Cc1ncc(cc1F)Br 1458a_100012351917_200025704644 [0,2,0,0,0,0|2,0,0]=4 7906 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,2,0,0,0,0|0,0,2]=4 7907 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,2,0,0,0,0|1,0,1]=4 7908 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,2,0,0,0,0|1,0,1]=4 7909 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,2,0,0,0,0|1,0,1]=4 7910 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,2,0,0,0,0|1,0,1]=4 7911 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,1]=4 7912 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,2,0,0,0,0|2,0,0]=4 7913 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,2,0,0,0,0|1,0,1]=4 7914 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,2,0,0,0,0|1,0,1]=4 7915 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,2,0,0,0,0|1,0,1]=4 7916 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,2,0,0,0,0|1,0,1]=4 7917 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,2,0,0,0,0|1,0,1]=4 7918 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,2,0,0,0,0|1,0,1]=4 7919 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,2,0,0,0,0|1,0,1]=4 7920 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,2,0,0,0,0|1,0,1]=4 7921 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,2,0,0,0,0|1,0,1]=4 7922 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,2,0,0,0,0|1,0,1]=4 7923 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,2,0,0,0,0|1,0,1]=4 7924 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,2,0,0,0,0|1,0,1]=4 7925 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,2,0,0,0,0|1,0,1]=4 7926 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,2,0,0,0,0|1,0,1]=4 7927 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,2,0,0,0,0|1,0,1]=4 7928 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,2,0,0,0,0|1,0,1]=4 7929 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,2,0,0,0,0|1,0,1]=4 7930 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,2,0,0,0,0|1,0,1]=4 7931 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,2,0,0,0,0|1,0,1]=4 7932 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,2,0,0,0,0|1,0,1]=4 7933 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,2,0,0,0,0|1,0,1]=4 7934 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,2,0,0,0,0|1,0,1]=4 7935 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,2,0,0,0,0|1,0,1]=4 7936 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,2,0,0,0,0|1,0,1]=4 7937 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,2,0,0,0,0|2,0,0]=4 7939 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,2,0,0,0,0|2,0,0]=4 7940 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,2,0,0,0,0|2,0,0]=4 7943 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,2,0,0,0,0|2,0,0]=4 7944 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,2,0,0,0,0|2,0,0]=4 7945 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,2,0,0,0,0|2,0,0]=4 7946 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,2,0,0,0,0|2,0,0]=4 7947 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,2,0,0,0,0|2,0,0]=4 7948 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,2,0,0,0,0|2,0,0]=4 7949 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,2,0,0,0,0|2,0,0]=4 7950 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,2,0,0,0,0|2,0,0]=4 7951 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,2,0,0,0,0|2,0,0]=4 7952 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,2,0,0,0,0|2,0,0]=4 7953 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,2,0,0,0,0|2,0,0]=4 7954 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,2,0,0,0,0|2,0,0]=4 7955 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,2,0,0,0,0|1,0,1]=4 7956 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,2,0,0,0,0|1,0,1]=4 7957 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,2,0,0,0,0|2,0,0]=4 7958 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,2,0,0,0,0|2,0,0]=4 7959 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,2,0,0,0,0|2,0,0]=4 7960 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,2,0,0,0,0|2,0,0]=4 7961 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,2,0,0,0,0|2,0,0]=4 7962 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,2,0,0,0,0|2,0,0]=4 7963 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,2,0,0,0,0|2,0,0]=4 7964 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,2,0,0,0,0|2,0,0]=4 7965 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,1]=4 7966 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,2,0,0,0,0|2,0,0]=4 7967 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,2,0,0,0,0|2,0,0]=4 7968 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,2,0,0,0,0|2,0,0]=4 7969 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,2,0,0,0,0|2,0,0]=4 7970 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,2,0,0,0,0|2,0,0]=4 7971 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,2,0,0,0,0|2,0,0]=4 7972 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,2,0,0,0,0|1,0,1]=4 7973 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,2,0,0,0,0|0,0,1]=3 7975 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,2,0,0,0,0|0,0,1]=3 7976 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,2,0,0,0,0|1,0,1]=4 7977 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,2,0,0,0,0|1,0,1]=4 7978 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_106722365845_200000210301 [0,2,0,0,0,0|1,0,1]=4 7980 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_200000210301_106722365845 [0,2,0,0,0,0|1,0,1]=4 7981 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,2,0,0,0,0|0,0,2]=4 7982 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,2,0,0,0,0|0,0,2]=4 7983 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,2,0,0,0,0|1,0,1]=4 7984 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,2,0,0,0,0|1,0,1]=4 7985 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,2,0,0,0,0|0,0,2]=4 7986 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,2,0,0,0,0|0,0,2]=4 7987 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,2,0,0,0,0|1,0,1]=4 7988 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,2,0,0,0,0|0,0,1]=3 7989 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,2,0,0,0,0|0,0,1]=3 7990 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_106722365845_200025704644 [0,2,0,0,0,0|1,0,1]=4 7991 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_200025704644_106722365845 [0,2,0,0,0,0|1,0,1]=4 7992 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,2,0,0,0,0|0,0,2]=4 7993 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,2,0,0,0,0|0,0,2]=4 7994 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,2,0,0,0,0|1,0,1]=4 7995 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,2,0,0,0,0|1,0,1]=4 7996 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,2,0,0,0,0|0,0,2]=4 7997 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,2,0,0,0,0|0,0,2]=4 7998 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,2,0,0,0,0|1,0,0]=3 7999 B12R1.9 CNC(C)(C)c1ccc(cc1)C 2230a_200011345931_200000210301 [0,2,0,0,0,0|2,0,0]=4 8000 B12R1.9 CNC(C)(C)c1ccc(cc1)C 34a_200011345931_200000210301 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.9 COC(C)(C)c1ccc(cc1)C 34a_200011345916_200000210301 [0,2,0,0,0,0|2,0,0]=4 8002 B12R1.9 COC(C)(C)c1ccc(cc1)C 7a_200011345916_200000210301 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200011345931_200025704644 [0,2,0,0,0,0|2,0,0]=4 8004 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 34a_200011345931_200025704644 [0,2,0,0,0,0|2,0,0]=4 8005 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_200011345916_200025704644 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_200011345916_200025704644 [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,2,0,0,0,0|1,0,1]=4 8008 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,2,0,0,0,0|1,0,1]=4 8009 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,2,0,0,0,0|1,0,1]=4 8010 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,2,0,0,0,0|1,0,1]=4 8011 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,2,0,0,0,0|1,0,1]=4 8012 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 8013 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,2,0,0,0,0|1,0,1]=4 8014 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 8015 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,2,0,0,0,0|1,0,1]=4 8016 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 8017 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|0,0,2]=4 8018 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,2,0,0,0,0|1,0,1]=4 8019 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,2,0,0,0,0|1,0,1]=4 8020 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,2,0,0,0,0|1,0,1]=4 8021 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,2,0,0,0,0|1,0,1]=4 8022 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 8023 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|0,0,2]=4 8024 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [0,2,0,0,0,0|2,0,0]=4 8031 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [0,2,0,0,0,0|2,0,0]=4 8032 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [0,2,0,0,0,0|2,0,0]=4 8033 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [0,2,0,0,0,0|2,0,0]=4 8037 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [0,2,0,0,0,0|2,0,0]=4 8038 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [0,2,0,0,0,0|2,0,0]=4 8039 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [0,2,0,0,0,0|2,0,0]=4 8040 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [0,2,0,0,0,0|2,0,0]=4 8041 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [0,2,0,0,0,0|2,0,0]=4 8042 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [0,2,0,0,0,0|2,0,0]=4 8043 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [0,2,0,0,0,0|2,0,0]=4 8044 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.112 CC=Cc1ccc(cc1C#N)C 271570a_100016259895_100011935190 [0,2,0,0,0,0|1,0,1]=4 8054 B12R1.112 CC=Cc1ccc(cc1C=O)C 271570a_100016259895_100011551863 [0,2,0,0,0,0|1,0,1]=4 8055 B12R1.112 CC=Cc1ccc(cc1CO)C 271570a_100016259895_100012361352 [0,2,0,0,0,0|1,0,1]=4 8056 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,2,0,0,0,0|1,0,1]=4 8057 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [0,2,0,0,0,0|1,0,1]=4 8058 B12R1.112 CNCc1ccc(cc1OC)C 207a_100102657272_100000689369 [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.112 CNCc1ccc(cc1OC)C 270004a_106832991635_100000689369 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.112 COCc1ccc(cc1OC)C 34a_200012017176_200000210301 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.112 COCc1ccc(cc1OC)C 7a_200012017176_200000210301 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.112 COc1cc(ccc1CO[13CH3])C 34a_200012017176_200025704644 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.112 COc1cc(ccc1CO[13CH3])C 7a_200012017176_200025704644 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [0,2,0,0,0,0|1,0,1]=4 8065 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,2,0,0,0,0|1,0,1]=4 8066 B12R1.114 CC=Cc1ccc(cc1C)CN 271570a_100016259895_100015205234 [0,2,0,0,0,0|1,0,1]=4 8067 B12R1.114 CC=Cc1ccc(cc1C)CO 271570a_100016259895_100000718852 [0,2,0,0,0,0|1,0,1]=4 8068 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [0,2,0,0,0,0|1,0,1]=4 8069 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,2,0,0,0,0|1,0,1]=4 8070 B12R1.114 CC=Cc1ccc(cc1Cl)CO 271570a_100016259895_100000718186 [0,2,0,0,0,0|1,0,1]=4 8071 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [0,2,0,0,0,0|1,0,1]=4 8072 B12R1.114 CC=Cc1ccc(cc1F)CN 271570a_100016259895_100000755036 [0,2,0,0,0,0|1,0,1]=4 8073 B12R1.114 CC=Cc1ccc(cc1F)CO 271570a_100016259895_100011533735 [0,2,0,0,0,0|1,0,1]=4 8074 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [0,2,0,0,0,0|1,0,1]=4 8075 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,2,0,0,0,0|1,0,1]=4 8076 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [0,2,0,0,0,0|1,0,1]=4 8077 B12R1.114 CC=Cc1ccc(cc1N)CO 271570a_100016259895_100012347568 [0,2,0,0,0,0|1,0,1]=4 8078 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,2,0,0,0,0|1,0,1]=4 8079 B12R1.114 CC=Cc1ccc(cc1O)CO 271570a_100016259895_100000049605 [0,2,0,0,0,0|1,0,1]=4 8080 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,2,0,0,0,0|1,0,1]=4 8081 B12R1.114 CCc1ccc(c(c1)Br)CNC 26a_100102657272_100012339963 [0,2,0,0,0,0|2,0,0]=4 8082 B12R1.114 CCc1ccc(c(c1)F)CNC 207a_100102657272_100011156597 [0,2,0,0,0,0|2,0,0]=4 8083 B12R1.114 CCc1ccc(c(c1)F)CNC 270004a_106832991635_100011156597 [0,2,0,0,0,0|2,0,0]=4 8084 B12R1.114 CNCc1ccc(cc1Br)CO 26a_100102657272_100011191544 [0,2,0,0,0,0|2,0,0]=4 8085 B12R1.114 CNCc1ccc(cc1Br)OC 207a_100102657272_100000723261 [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.114 CNCc1ccc(cc1Br)OC 2230a_106832991635_100011982828 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.114 CNCc1ccc(cc1Br)OC 26a_100102657272_100000685887 [0,2,0,0,0,0|2,0,0]=4 8088 B12R1.114 CNCc1ccc(cc1Br)OC 270004a_106832991635_100000723261 [0,2,0,0,0,0|2,0,0]=4 8089 B12R1.114 CNCc1ccc(cc1Br)OC 34a_100102657272_100011982828 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.114 CNCc1ccc(cc1Br)OC 7a_106832991635_100011982828 [0,2,0,0,0,0|2,0,0]=4 8091 B12R1.114 CNCc1ccc(cc1C)CO 207a_100102657272_100015695768 [0,2,0,0,0,0|2,0,0]=4 8092 B12R1.114 CNCc1ccc(cc1C)CO 270004a_106832991635_100015695768 [0,2,0,0,0,0|2,0,0]=4 8093 B12R1.114 CNCc1ccc(cc1C)OC 207a_100102657272_100011214997 [0,2,0,0,0,0|2,0,0]=4 8094 B12R1.114 CNCc1ccc(cc1C)OC 270004a_106832991635_100011214997 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.114 CNCc1ccc(cc1Cl)OC 207a_100102657272_100000235372 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.114 CNCc1ccc(cc1Cl)OC 2230a_106832991635_200011830453 [0,2,0,0,0,0|2,0,0]=4 8097 B12R1.114 CNCc1ccc(cc1Cl)OC 26a_100102657272_100000038596 [0,2,0,0,0,0|2,0,0]=4 8098 B12R1.114 CNCc1ccc(cc1Cl)OC 270004a_106832991635_100000235372 [0,2,0,0,0,0|2,0,0]=4 8099 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100102657272_200011830453 [0,2,0,0,0,0|2,0,0]=4 8100 B12R1.114 CNCc1ccc(cc1Cl)OC 34a_100138410423_200000210301 [0,2,0,0,0,0|2,0,0]=4 8101 B12R1.114 CNCc1ccc(cc1Cl)OC 7a_106832991635_200011830453 [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.114 CNCc1ccc(cc1F)OC 207a_100102657272_100011216087 [0,2,0,0,0,0|2,0,0]=4 8103 B12R1.114 CNCc1ccc(cc1F)OC 2230a_106832991635_100011260761 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.114 CNCc1ccc(cc1F)OC 26a_100102657272_100000036999 [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.114 CNCc1ccc(cc1F)OC 270004a_106832991635_100011216087 [0,2,0,0,0,0|2,0,0]=4 8106 B12R1.114 CNCc1ccc(cc1F)OC 34a_100000687396_200000210301 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.114 CNCc1ccc(cc1F)OC 34a_100102657272_100011260761 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.114 CNCc1ccc(cc1F)OC 7a_106832991635_100011260761 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.114 CNCc1ccc(cc1I)OC 207a_100102657272_100010159643 [0,2,0,0,0,0|2,0,0]=4 8110 B12R1.114 CNCc1ccc(cc1I)OC 270004a_106832991635_100010159643 [0,2,0,0,0,0|2,0,0]=4 8111 B12R1.114 CNc1ccc(c(c1)F)COC 34a_100012145864_200000210301 [0,2,0,0,0,0|2,0,0]=4 8112 B12R1.114 CNc1ccc(c(c1)F)COC 7a_100012145864_200000210301 [0,2,0,0,0,0|2,0,0]=4 8113 B12R1.114 COCc1ccc(cc1Br)OC 34a_100011982768_200000210301 [0,2,0,0,0,0|2,0,0]=4 8114 B12R1.114 COCc1ccc(cc1Br)OC 34a_100138415774_100011982828 [0,2,0,0,0,0|2,0,0]=4 8115 B12R1.114 COCc1ccc(cc1Br)OC 7a_100011982768_200000210301 [0,2,0,0,0,0|2,0,0]=4 8116 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100011982767_200000210301 [0,2,0,0,0,0|2,0,0]=4 8117 B12R1.114 COCc1ccc(cc1Cl)OC 34a_100138415774_200011830453 [0,2,0,0,0,0|2,0,0]=4 8118 B12R1.114 COCc1ccc(cc1Cl)OC 7a_100011982767_200000210301 [0,2,0,0,0,0|2,0,0]=4 8119 B12R1.114 COCc1ccc(cc1F)N[13CH3] 34a_100012145864_200025704644 [0,2,0,0,0,0|2,0,0]=4 8120 B12R1.114 COCc1ccc(cc1F)N[13CH3] 7a_100012145864_200025704644 [0,2,0,0,0,0|2,0,0]=4 8121 B12R1.114 COCc1ccc(cc1F)OC 34a_100011830421_200000210301 [0,2,0,0,0,0|2,0,0]=4 8122 B12R1.114 COCc1ccc(cc1F)OC 34a_100138415774_100011260761 [0,2,0,0,0,0|2,0,0]=4 8123 B12R1.114 COCc1ccc(cc1F)OC 7a_100011830421_200000210301 [0,2,0,0,0,0|2,0,0]=4 8124 B12R1.114 COCc1ccc(cc1N)OC 34a_100011998734_200000210301 [0,2,0,0,0,0|2,0,0]=4 8125 B12R1.114 COCc1ccc(cc1N)SC 62a_100013084866_200000210301 [0,2,0,0,0,0|2,0,0]=4 8126 B12R1.114 COCc1ccc(cc1N)SC 62a_200000210301_100013084866 [0,2,0,0,0,0|2,0,0]=4 8127 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_100013084866_200025704644 [0,2,0,0,0,0|2,0,0]=4 8128 B12R1.114 COCc1ccc(cc1N)S[13CH3] 62a_200025704644_100013084866 [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 34a_100011982768_200025704644 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.114 COc1ccc(c(c1)Br)CO[13CH3] 7a_100011982768_200025704644 [0,2,0,0,0,0|2,0,0]=4 8131 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_100011982828_200000210301 [0,2,0,0,0,0|2,0,0]=4 8132 B12R1.114 COc1ccc(c(c1)Br)CSC 62a_200000210301_100011982828 [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_100011982828_200025704644 [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.114 COc1ccc(c(c1)Br)CS[13CH3] 62a_200025704644_100011982828 [0,2,0,0,0,0|2,0,0]=4 8135 B12R1.114 COc1ccc(c(c1)Cl)CN[13CH3] 34a_100138410423_200025704644 [0,2,0,0,0,0|2,0,0]=4 8136 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 34a_100011982767_200025704644 [0,2,0,0,0,0|2,0,0]=4 8137 B12R1.114 COc1ccc(c(c1)Cl)CO[13CH3] 7a_100011982767_200025704644 [0,2,0,0,0,0|2,0,0]=4 8138 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200000210301_200011830453 [0,2,0,0,0,0|2,0,0]=4 8139 B12R1.114 COc1ccc(c(c1)Cl)CSC 62a_200011830453_200000210301 [0,2,0,0,0,0|2,0,0]=4 8140 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200011830453_200025704644 [0,2,0,0,0,0|2,0,0]=4 8141 B12R1.114 COc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_200011830453 [0,2,0,0,0,0|2,0,0]=4 8142 B12R1.114 COc1ccc(c(c1)F)CN[13CH3] 34a_100000687396_200025704644 [0,2,0,0,0,0|2,0,0]=4 8143 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 34a_100011830421_200025704644 [0,2,0,0,0,0|2,0,0]=4 8144 B12R1.114 COc1ccc(c(c1)F)CO[13CH3] 7a_100011830421_200025704644 [0,2,0,0,0,0|2,0,0]=4 8145 B12R1.114 COc1ccc(c(c1)F)CSC 62a_100011260761_200000210301 [0,2,0,0,0,0|2,0,0]=4 8146 B12R1.114 COc1ccc(c(c1)F)CSC 62a_200000210301_100011260761 [0,2,0,0,0,0|2,0,0]=4 8147 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_100011260761_200025704644 [0,2,0,0,0,0|2,0,0]=4 8148 B12R1.114 COc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011260761 [0,2,0,0,0,0|2,0,0]=4 8149 B12R1.114 COc1ccc(c(c1)N)CO[13CH3] 34a_100011998734_200025704644 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.114 COc1ccc(c(c1)O)CC#N 271570a_203496583355_100010146818 [0,2,0,0,0,0|1,0,1]=4 8151 B12R1.114 CSc1ccc(c(c1)C)CC#N 62a_100000697864_200000210301 [0,2,0,0,0,0|1,0,1]=4 8152 B12R1.114 CSc1ccc(c(c1)C)CC#N 62a_200000210301_100000697864 [0,2,0,0,0,0|1,0,1]=4 8153 B12R1.114 CSc1ccc(c(c1)F)CC#N 62a_100011295474_200000210301 [0,2,0,0,0,0|1,0,1]=4 8154 B12R1.114 CSc1ccc(c(c1)F)CC#N 62a_200000210301_100011295474 [0,2,0,0,0,0|1,0,1]=4 8155 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_100011962869_200000210301 [0,2,0,0,0,0|0,0,2]=4 8156 B12R1.114 CSc1ccc(c(c1)F)CCO 62a_200000210301_100011962869 [0,2,0,0,0,0|0,0,2]=4 8157 B12R1.114 Cc1cc(ccc1CC#N)S[13CH3] 62a_100000697864_200025704644 [0,2,0,0,0,0|1,0,1]=4 8158 B12R1.114 Cc1cc(ccc1CC#N)S[13CH3] 62a_200025704644_100000697864 [0,2,0,0,0,0|1,0,1]=4 8159 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CC#N 62a_100011295474_200025704644 [0,2,0,0,0,0|1,0,1]=4 8160 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CC#N 62a_200025704644_100011295474 [0,2,0,0,0,0|1,0,1]=4 8161 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_100011962869_200025704644 [0,2,0,0,0,0|0,0,2]=4 8162 B12R1.114 [13CH3]Sc1ccc(c(c1)F)CCO 62a_200025704644_100011962869 [0,2,0,0,0,0|0,0,2]=4 8163 B12R1.544 CC=Cc1ccc(c(c1C)N)C 271570a_100016259895_200010074581 [0,2,0,0,0,0|1,0,1]=4 8164 B12R1.544 CC=Cc1ccc(c(c1F)C)C 271570a_100016259895_200015555822 [0,2,0,0,0,0|1,0,1]=4 8165 B12R1.544 CC=Cc1ccc(c(c1F)F)C 271570a_100016259895_100012766498 [0,2,0,0,0,0|1,0,1]=4 8166 B12R1.544 CC=Cc1ccc(c(c1O)F)C 271570a_100016259895_100000722096 [0,2,0,0,0,0|1,0,1]=4 8167 B12R1.544 CNCc1ccc(c(c1C)Br)C 26a_100102657272_100010659238 [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.544 CNCc1ccc(c(c1Cl)Cl)C 207a_100102657272_100009830617 [0,2,0,0,0,0|2,0,0]=4 8169 B12R1.544 CNCc1ccc(c(c1Cl)Cl)C 270004a_106832991635_100009830617 [0,2,0,0,0,0|2,0,0]=4 8170 B12R1.544 CNCc1ccc(c(c1F)Br)C 207a_100102657272_100010381662 [0,2,0,0,0,0|2,0,0]=4 8171 B12R1.544 CNCc1ccc(c(c1F)Br)C 270004a_106832991635_100010381662 [0,2,0,0,0,0|2,0,0]=4 8172 B12R1.544 CNCc1ccc(c(c1F)F)C 207a_100102657272_100011216850 [0,2,0,0,0,0|2,0,0]=4 8173 B12R1.544 CNCc1ccc(c(c1F)F)C 2230a_102516457222_200000210301 [0,2,0,0,0,0|2,0,0]=4 8174 B12R1.544 CNCc1ccc(c(c1F)F)C 2230a_106832991635_100009813564 [0,2,0,0,0,0|2,0,0]=4 8175 B12R1.544 CNCc1ccc(c(c1F)F)C 34a_100102657272_100009813564 [0,2,0,0,0,0|2,0,0]=4 8176 B12R1.544 CNCc1ccc(c(c1F)F)C 34a_102516457222_200000210301 [0,2,0,0,0,0|2,0,0]=4 8177 B12R1.544 CNCc1ccc(c(c1F)F)C 7a_106832991635_100009813564 [0,2,0,0,0,0|2,0,0]=4 8178 B12R1.544 COCc1ccc(c(c1F)F)C 34a_100011216588_200000210301 [0,2,0,0,0,0|2,0,0]=4 8179 B12R1.544 COCc1ccc(c(c1F)F)C 34a_100138415774_100009813564 [0,2,0,0,0,0|2,0,0]=4 8180 B12R1.544 COCc1ccc(c(c1F)F)C 7a_100011216588_200000210301 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.544 CSCc1ccc(c(c1F)F)C 62a_100009813564_200000210301 [0,2,0,0,0,0|2,0,0]=4 8182 B12R1.544 CSCc1ccc(c(c1F)F)C 62a_200000210301_100009813564 [0,2,0,0,0,0|2,0,0]=4 8183 B12R1.544 Cc1ccc(c(c1F)F)CN[13CH3] 2230a_102516457222_200025704644 [0,2,0,0,0,0|2,0,0]=4 8184 B12R1.544 Cc1ccc(c(c1F)F)CN[13CH3] 34a_102516457222_200025704644 [0,2,0,0,0,0|2,0,0]=4 8185 B12R1.544 Cc1ccc(c(c1F)F)CO[13CH3] 34a_100011216588_200025704644 [0,2,0,0,0,0|2,0,0]=4 8186 B12R1.544 Cc1ccc(c(c1F)F)CO[13CH3] 7a_100011216588_200025704644 [0,2,0,0,0,0|2,0,0]=4 8187 B12R1.544 Cc1ccc(c(c1F)F)CS[13CH3] 62a_100009813564_200025704644 [0,2,0,0,0,0|2,0,0]=4 8188 B12R1.544 Cc1ccc(c(c1F)F)CS[13CH3] 62a_200025704644_100009813564 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.1095 CC=Cc1c(cc(cc1Br)C)Br 271570a_100016259895_200011219743 [0,2,0,0,0,0|1,0,1]=4 8190 B12R1.1095 CC=Cc1c(cc(cc1Br)C)C 271570a_100016259895_200012353697 [0,2,0,0,0,0|1,0,1]=4 8191 B12R1.1095 CC=Cc1c(cc(cc1Br)C)F 271570a_100016259895_100010208195 [0,2,0,0,0,0|1,0,1]=4 8192 B12R1.1095 CC=Cc1c(cc(cc1C)C)C 271570a_100016259895_100011204320 [0,2,0,0,0,0|1,0,1]=4 8193 B12R1.1095 CC=Cc1c(cc(cc1F)C)F 271570a_100016259895_100015306127 [0,2,0,0,0,0|1,0,1]=4 8194 B12R1.1095 CC=Cc1c(cc(cc1F)C)N 271570a_100016259895_100021129147 [0,2,0,0,0,0|1,0,1]=4 8195 B12R1.1095 CC=Cc1c(cc(cc1O)C)C 271570a_100016259895_100010342985 [0,2,0,0,0,0|1,0,1]=4 8196 B12R1.1095 CNCc1c(cc(cc1Br)C)Br 207a_100102657272_100010233045 [0,2,0,0,0,0|2,0,0]=4 8197 B12R1.1095 CNCc1c(cc(cc1Br)C)Br 26a_100102657272_100000203795 [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.1095 CNCc1c(cc(cc1Br)C)Br 270004a_106832991635_100010233045 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.1095 CNCc1c(cc(cc1Br)C)C 26a_100102657272_100011934984 [0,2,0,0,0,0|2,0,0]=4 8200 B12R1.1095 CNCc1c(cc(cc1Br)C)F 207a_100102657272_100010341274 [0,2,0,0,0,0|2,0,0]=4 8201 B12R1.1095 CNCc1c(cc(cc1Br)C)F 26a_100102657272_200010713133 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.1095 CNCc1c(cc(cc1Br)C)F 270004a_106832991635_100010341274 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.1095 CNCc1c(cc(cc1C)C)C 207a_100102657272_100000211105 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.1095 CNCc1c(cc(cc1C)C)C 2230a_100000737526_200000210301 [0,2,0,0,0,0|2,0,0]=4 8205 B12R1.1095 CNCc1c(cc(cc1C)C)C 2230a_106832991635_100000749405 [0,2,0,0,0,0|2,0,0]=4 8206 B12R1.1095 CNCc1c(cc(cc1C)C)C 270004a_106832991635_100000211105 [0,2,0,0,0,0|2,0,0]=4 8207 B12R1.1095 CNCc1c(cc(cc1C)C)C 34a_100000737526_200000210301 [0,2,0,0,0,0|2,0,0]=4 8208 B12R1.1095 CNCc1c(cc(cc1C)C)C 34a_100102657272_100000749405 [0,2,0,0,0,0|2,0,0]=4 8209 B12R1.1095 CNCc1c(cc(cc1C)C)C 7a_106832991635_100000749405 [0,2,0,0,0,0|2,0,0]=4 8210 B12R1.1095 CNCc1c(cc(cc1Cl)C)Cl 207a_100102657272_100000093335 [0,2,0,0,0,0|2,0,0]=4 8211 B12R1.1095 CNCc1c(cc(cc1Cl)C)Cl 26a_100102657272_100000034925 [0,2,0,0,0,0|2,0,0]=4 8212 B12R1.1095 CNCc1c(cc(cc1Cl)C)Cl 270004a_106832991635_100000093335 [0,2,0,0,0,0|2,0,0]=4 8213 B12R1.1095 CNCc1c(cc(cc1F)C)F 207a_100102657272_100009880303 [0,2,0,0,0,0|2,0,0]=4 8214 B12R1.1095 CNCc1c(cc(cc1F)C)F 270004a_106832991635_100009880303 [0,2,0,0,0,0|2,0,0]=4 8215 B12R1.1095 COCc1c(cc(cc1Br)C)F 34a_100016175008_200000210301 [0,2,0,0,0,0|2,0,0]=4 8216 B12R1.1095 COCc1c(cc(cc1Br)C)F 7a_100016175008_200000210301 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.1095 COCc1c(cc(cc1C)C)C 34a_100011215277_200000210301 [0,2,0,0,0,0|2,0,0]=4 8218 B12R1.1095 COCc1c(cc(cc1C)C)C 34a_100138415774_100000749405 [0,2,0,0,0,0|2,0,0]=4 8219 B12R1.1095 COCc1c(cc(cc1C)C)C 7a_100011215277_200000210301 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.1095 CSCc1c(cc(cc1C)C)C 62a_100000749405_200000210301 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.1095 CSCc1c(cc(cc1C)C)C 62a_200000210301_100000749405 [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.1095 Cc1cc(c(c(c1)Br)CO[13CH3])F 34a_100016175008_200025704644 [0,2,0,0,0,0|2,0,0]=4 8223 B12R1.1095 Cc1cc(c(c(c1)Br)CO[13CH3])F 7a_100016175008_200025704644 [0,2,0,0,0,0|2,0,0]=4 8224 B12R1.1095 Cc1cc(c(c(c1)C)CN[13CH3])C 2230a_100000737526_200025704644 [0,2,0,0,0,0|2,0,0]=4 8225 B12R1.1095 Cc1cc(c(c(c1)C)CN[13CH3])C 34a_100000737526_200025704644 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.1095 Cc1cc(c(c(c1)C)CO[13CH3])C 34a_100011215277_200025704644 [0,2,0,0,0,0|2,0,0]=4 8227 B12R1.1095 Cc1cc(c(c(c1)C)CO[13CH3])C 7a_100011215277_200025704644 [0,2,0,0,0,0|2,0,0]=4 8228 B12R1.1095 Cc1cc(c(c(c1)C)CS[13CH3])C 62a_100000749405_200025704644 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.1095 Cc1cc(c(c(c1)C)CS[13CH3])C 62a_200025704644_100000749405 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.1123 CC=Cc1cc(c(cc1Br)C)Br 271570a_100016259895_100012929169 [0,2,0,0,0,0|1,0,1]=4 8231 B12R1.1123 CC=Cc1cc(c(cc1Br)C)F 271570a_100016259895_200009814774 [0,2,0,0,0,0|1,0,1]=4 8232 B12R1.1123 CC=Cc1cc(c(cc1C)C)C 271570a_100016259895_100000759388 [0,2,0,0,0,0|1,0,1]=4 8233 B12R1.1123 CC=Cc1cc(c(cc1C)C)N 271570a_100016259895_100000703630 [0,2,0,0,0,0|1,0,1]=4 8234 B12R1.1123 CC=Cc1cc(c(cc1F)C)Br 271570a_100016259895_100011068846 [0,2,0,0,0,0|1,0,1]=4 8235 B12R1.1123 CC=Cc1cc(c(cc1F)C)C 271570a_100016259895_100010197417 [0,2,0,0,0,0|1,0,1]=4 8236 B12R1.1123 CC=Cc1cc(c(cc1F)C)F 271570a_100016259895_100011219510 [0,2,0,0,0,0|1,0,1]=4 8237 B12R1.1123 CC=Cc1cc(c(cc1F)C)N 271570a_100016259895_100000717900 [0,2,0,0,0,0|1,0,1]=4 8238 B12R1.1123 CC=Cc1cc(c(cc1F)C)O 271570a_100016259895_100014242602 [0,2,0,0,0,0|1,0,1]=4 8239 B12R1.1123 CC=Cc1cc(c(cc1N)C)C 271570a_100016259895_100012337760 [0,2,0,0,0,0|1,0,1]=4 8240 B12R1.1123 CC=Cc1cc(c(cc1N)C)F 271570a_100016259895_100010233353 [0,2,0,0,0,0|1,0,1]=4 8241 B12R1.1123 CC=Cc1cc(c(cc1O)C)C 271570a_100016259895_100009814663 [0,2,0,0,0,0|1,0,1]=4 8242 B12R1.1123 CNCc1cc(c(cc1Br)C)C 26a_100102657272_100009814663 [0,2,0,0,0,0|2,0,0]=4 8243 B12R1.1123 CNCc1cc(c(cc1Br)C)F 207a_100102657272_100010186290 [0,2,0,0,0,0|2,0,0]=4 8244 B12R1.1123 CNCc1cc(c(cc1Br)C)F 270004a_106832991635_100010186290 [0,2,0,0,0,0|2,0,0]=4 8245 B12R1.1123 CNCc1cc(c(cc1C)C)C 207a_100102657272_100000211818 [0,2,0,0,0,0|2,0,0]=4 8246 B12R1.1123 CNCc1cc(c(cc1C)C)C 270004a_106832991635_100000211818 [0,2,0,0,0,0|2,0,0]=4 8247 B12R1.1123 CNCc1cc(c(cc1F)C)Br 207a_100102657272_100010138641 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.1123 CNCc1cc(c(cc1F)C)Br 26a_100102657272_100010068922 [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.1123 CNCc1cc(c(cc1F)C)Br 270004a_106832991635_100010138641 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.1123 CNCc1cc(c(cc1I)C)C 207a_100102657272_100010184403 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.1123 CNCc1cc(c(cc1I)C)C 270004a_106832991635_100010184403 [0,2,0,0,0,0|2,0,0]=4 8252 B12R1.1123 COCc1cc(c(cc1C)C)C 34a_200000246302_200000210301 [0,2,0,0,0,0|2,0,0]=4 8253 B12R1.1123 COCc1cc(c(cc1C)C)C 7a_200000246302_200000210301 [0,2,0,0,0,0|2,0,0]=4 8254 B12R1.1123 COCc1cc(c(cc1I)C)C 34a_100010184405_200000210301 [0,2,0,0,0,0|2,0,0]=4 8255 B12R1.1123 COCc1cc(c(cc1I)C)C 7a_100010184405_200000210301 [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.1123 Cc1cc(c(cc1C)CO[13CH3])C 34a_200000246302_200025704644 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.1123 Cc1cc(c(cc1C)CO[13CH3])C 7a_200000246302_200025704644 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.1123 Cc1cc(c(cc1C)CO[13CH3])I 34a_100010184405_200025704644 [0,2,0,0,0,0|2,0,0]=4 8259 B12R1.1123 Cc1cc(c(cc1C)CO[13CH3])I 7a_100010184405_200025704644 [0,2,0,0,0,0|2,0,0]=4 8260 B12R1.113 C=C(C)c1ccc(cc1)/C=C/Br 271570a_100000694244_200016255901 [0,2,0,0,0,0|1,0,1]=4 8261 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [0,2,0,0,0,0|1,0,1]=4 8262 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [0,2,0,0,0,0|1,0,1]=4 8263 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,2,0,0,0,0|1,0,1]=4 8264 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,2,0,0,0,0|0,0,0]=2 8265 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,2,0,0,0,0|1,0,1]=4 8266 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,2,0,0,0,0|1,0,1]=4 8267 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,2,0,0,0,0|0,0,2]=4 8268 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,2,0,0,0,0|2,0,0]=4 8270 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,2,0,0,0,0|2,0,0]=4 8271 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,2,0,0,0,0|1,0,1]=4 8273 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,2,0,0,0,0|0,0,2]=4 8274 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,2,0,0,0,0|2,0,0]=4 8276 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,2,0,0,0,0|2,0,0]=4 8277 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,2,0,0,0,0|2,0,0]=4 8278 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,2,0,0,0,0|2,0,0]=4 8279 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,2,0,0,0,0|2,0,0]=4 8280 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,2,0,0,0,0|2,0,0]=4 8281 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [0,2,0,0,0,0|2,0,0]=4 8282 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [0,2,0,0,0,0|2,0,0]=4 8283 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,2,0,0,0,0|2,0,0]=4 8284 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,2,0,0,0,0|2,0,0]=4 8285 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,2,0,0,0,0|1,0,1]=4 8286 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [0,2,0,0,0,0|1,0,1]=4 8287 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,2,0,0,0,0|1,0,1]=4 8288 B12R1.113 CC=Cc1ccc(cc1)C(F)F 271570a_100016259895_100010189923 [0,2,0,0,0,0|1,0,1]=4 8289 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [0,2,0,0,0,0|1,0,1]=4 8290 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [0,2,0,0,0,0|1,0,1]=4 8291 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [0,2,0,0,0,0|1,0,1]=4 8292 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [0,2,0,0,0,0|1,0,1]=4 8293 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,2,0,0,0,0|1,0,1]=4 8294 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,2,0,0,0,0|1,0,1]=4 8295 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,2,0,0,0,0|2,0,0]=4 8298 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,2,0,0,0,0|2,0,0]=4 8299 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,2,0,0,0,0|2,0,0]=4 8300 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,2,0,0,0,0|2,0,0]=4 8302 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,2,0,0,0,0|2,0,0]=4 8303 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,2,0,0,0,0|2,0,0]=4 8304 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,2,0,0,0,0|2,0,0]=4 8307 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,2,0,0,0,0|2,0,0]=4 8308 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,2,0,0,0,0|2,0,0]=4 8309 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,2,0,0,0,0|2,0,0]=4 8310 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,2,0,0,0,0|2,0,0]=4 8311 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_100025706676_200000210301 [0,2,0,0,0,0|2,0,0]=4 8312 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_106832991635_200012343607 [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100025706676_200000210301 [0,2,0,0,0,0|2,0,0]=4 8314 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100102657272_200012343607 [0,2,0,0,0,0|2,0,0]=4 8315 B12R1.113 CNCc1ccc(cc1)C(F)F 7a_106832991635_200012343607 [0,2,0,0,0,0|2,0,0]=4 8316 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,2,0,0,0,0|2,0,0]=4 8317 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,2,0,0,0,0|2,0,0]=4 8318 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,2,0,0,0,0|2,0,0]=4 8319 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,2,0,0,0,0|2,0,0]=4 8320 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,2,0,0,0,0|2,0,0]=4 8321 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,2,0,0,0,0|2,0,0]=4 8324 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,2,0,0,0,0|2,0,0]=4 8325 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.113 COCc1ccc(cc1)C(F)F 34a_100138415774_200012343607 [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,2,0,0,0,0|2,0,0]=4 8329 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,2,0,0,0,0|2,0,0]=4 8330 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,2,0,0,0,0|2,0,0]=4 8332 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,2,0,0,0,0|2,0,0]=4 8333 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [0,2,0,0,0,0|2,0,0]=4 8334 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200000210301_200012343607 [0,2,0,0,0,0|2,0,0]=4 8336 B12R1.113 CSCc1ccc(cc1)C(F)F 62a_200012343607_200000210301 [0,2,0,0,0,0|2,0,0]=4 8337 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,2,0,0,0,0|1,0,1]=4 8338 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,2,0,0,0,0|0,0,2]=4 8339 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 2230a_100025706676_200025704644 [0,2,0,0,0,0|2,0,0]=4 8340 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 34a_100025706676_200025704644 [0,2,0,0,0,0|2,0,0]=4 8341 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200012343607_200025704644 [0,2,0,0,0,0|2,0,0]=4 8342 B12R1.113 [13CH3]SCc1ccc(cc1)C(F)F 62a_200025704644_200012343607 [0,2,0,0,0,0|2,0,0]=4 8343 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [0,2,0,0,0,0|1,0,1]=4 8344 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [0,2,0,0,0,0|1,0,1]=4 8345 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [0,2,0,0,0,0|1,0,1]=4 8346 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [0,2,0,0,0,0|1,0,1]=4 8347 B12R1.116 C=C=Cc1ccc(cc1)CC=O 271570a_100015277604_100011361690 [0,2,0,0,0,0|0,0,1]=3 8348 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [0,2,0,0,0,0|1,0,0]=3 8349 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [0,2,0,0,0,0|1,0,0]=3 8350 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [0,2,0,0,0,0|1,0,0]=3 8351 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [0,2,0,0,0,0|1,0,0]=3 8352 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [0,2,0,0,0,0|1,0,0]=3 8353 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [0,2,0,0,0,0|2,0,0]=4 8354 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [0,2,0,0,0,0|2,0,0]=4 8355 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.116 CC=Cc1ccc(cc1)/C=C/Br 271570a_100016259895_200016255901 [0,2,0,0,0,0|1,0,1]=4 8358 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [0,2,0,0,0,0|1,0,1]=4 8359 B12R1.116 CC=Cc1ccc(cc1)CC#N 271570a_100016259895_100011217881 [0,2,0,0,0,0|1,0,1]=4 8360 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [0,2,0,0,0,0|0,0,0]=2 8361 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [0,2,0,0,0,0|1,0,1]=4 8362 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [0,2,0,0,0,0|1,0,1]=4 8363 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [0,2,0,0,0,0|0,0,2]=4 8364 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [0,2,0,0,0,0|1,0,1]=4 8365 B12R1.116 CC=Cc1ccc(cc1)CNN 271570a_100016259895_100016993955 [0,2,0,0,0,0|1,0,1]=4 8366 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [0,2,0,0,0,0|1,0,1]=4 8367 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [0,2,0,0,0,0|1,0,1]=4 8368 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [0,2,0,0,0,0|1,0,1]=4 8369 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [0,2,0,0,0,0|1,0,1]=4 8370 B12R1.116 CCCc1ccc(cc1)CNC 207a_100102657272_100000229940 [0,2,0,0,0,0|1,0,1]=4 8371 B12R1.116 CCCc1ccc(cc1)CNC 2230a_100020632977_200000210301 [0,2,0,0,0,0|1,0,1]=4 8372 B12R1.116 CCCc1ccc(cc1)CNC 2230a_106832991635_100011982809 [0,2,0,0,0,0|1,0,1]=4 8373 B12R1.116 CCCc1ccc(cc1)CNC 26a_100102657272_100000749406 [0,2,0,0,0,0|1,0,1]=4 8374 B12R1.116 CCCc1ccc(cc1)CNC 270004a_106832991635_100000229940 [0,2,0,0,0,0|1,0,1]=4 8375 B12R1.116 CCCc1ccc(cc1)CNC 34a_100020632977_200000210301 [0,2,0,0,0,0|1,0,1]=4 8376 B12R1.116 CCCc1ccc(cc1)CNC 34a_100102657272_100011982809 [0,2,0,0,0,0|1,0,1]=4 8377 B12R1.116 CCCc1ccc(cc1)CNC 7a_106832991635_100011982809 [0,2,0,0,0,0|1,0,1]=4 8378 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 2230a_100020632977_200025704644 [0,2,0,0,0,0|1,0,1]=4 8379 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 34a_100020632977_200025704644 [0,2,0,0,0,0|1,0,1]=4 8380 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [0,2,0,0,0,0|1,0,1]=4 8381 B12R1.116 CCCc1ccc(cc1)CSC 62a_100011982809_200000210301 [0,2,0,0,0,0|1,0,1]=4 8382 B12R1.116 CCCc1ccc(cc1)CSC 62a_200000210301_100011982809 [0,2,0,0,0,0|1,0,1]=4 8383 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_100011982809_200025704644 [0,2,0,0,0,0|1,0,1]=4 8384 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982809 [0,2,0,0,0,0|1,0,1]=4 8385 B12R1.116 CCCc1ccc(cc1)NCC 2230a_100000211780_100000210202 [0,2,0,0,0,0|1,0,1]=4 8386 B12R1.116 CCCc1ccc(cc1)NCC 34a_100000211780_100000210202 [0,2,0,0,0,0|1,0,1]=4 8387 B12R1.116 CCCc1ccc(cc1)NCF 34a_100000211780_100015361967 [0,2,0,0,0,0|1,0,1]=4 8388 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [0,2,0,0,0,0|1,0,1]=4 8389 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [0,2,0,0,0,0|1,0,1]=4 8390 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [0,2,0,0,0,0|1,0,1]=4 8391 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [0,2,0,0,0,0|1,0,1]=4 8392 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000210202_100000750032 [0,2,0,0,0,0|1,0,1]=4 8393 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000750032_100000210202 [0,2,0,0,0,0|1,0,1]=4 8394 B12R1.116 CCCc1ccc(cc1)SCF 62a_100000750032_100015361967 [0,2,0,0,0,0|1,0,1]=4 8395 B12R1.116 CCCc1ccc(cc1)SCF 62a_100015361967_100000750032 [0,2,0,0,0,0|1,0,1]=4 8396 B12R1.116 CCNc1ccc(cc1)CC#N 34a_100000198999_100000210202 [0,2,0,0,0,0|1,0,1]=4 8397 B12R1.116 CCNc1ccc(cc1)CCO 2230a_100011204434_100000210202 [0,2,0,0,0,0|0,0,2]=4 8398 B12R1.116 CCNc1ccc(cc1)CCO 34a_100011204434_100000210202 [0,2,0,0,0,0|0,0,2]=4 8399 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [0,2,0,0,0,0|2,0,0]=4 8400 B12R1.116 CCNc1ccc(cc1)CSC 2230a_106726388226_100000210202 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.116 CCNc1ccc(cc1)CSC 34a_106726388226_100000210202 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.116 CCNc1ccc(cc1)CSC 7a_106726388226_100000210202 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [0,2,0,0,0,0|1,0,1]=4 8404 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [0,2,0,0,0,0|1,0,1]=4 8405 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [0,2,0,0,0,0|1,0,1]=4 8406 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [0,2,0,0,0,0|1,0,1]=4 8407 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,1]=4 8408 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [0,2,0,0,0,0|0,0,2]=4 8409 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [0,2,0,0,0,0|0,0,2]=4 8410 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [0,2,0,0,0,0|2,0,0]=4 8411 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [0,2,0,0,0,0|2,0,0]=4 8412 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [0,2,0,0,0,0|2,0,0]=4 8413 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [0,2,0,0,0,0|2,0,0]=4 8415 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [0,2,0,0,0,0|2,0,0]=4 8416 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [0,2,0,0,0,0|2,0,0]=4 8421 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [0,2,0,0,0,0|1,0,1]=4 8424 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [0,2,0,0,0,0|1,0,1]=4 8425 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100000210202_100011217881 [0,2,0,0,0,0|1,0,1]=4 8426 B12R1.116 CCSc1ccc(cc1)CC#N 62a_100011217881_100000210202 [0,2,0,0,0,0|1,0,1]=4 8427 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [0,2,0,0,0,0|0,0,0]=2 8428 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [0,2,0,0,0,0|0,0,0]=2 8429 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000210202_100000755846 [0,2,0,0,0,0|1,0,1]=4 8430 B12R1.116 CCSc1ccc(cc1)CCN 62a_100000755846_100000210202 [0,2,0,0,0,0|1,0,1]=4 8431 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000210202_100000766406 [0,2,0,0,0,0|0,0,2]=4 8432 B12R1.116 CCSc1ccc(cc1)CCO 62a_100000766406_100000210202 [0,2,0,0,0,0|0,0,2]=4 8433 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000180866_100000210202 [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000210202_100000180866 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.116 CCSc1ccc(cc1)CNN 62a_100000210202_100016993955 [0,2,0,0,0,0|2,0,0]=4 8436 B12R1.116 CCSc1ccc(cc1)CNN 62a_100016993955_100000210202 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [0,2,0,0,0,0|2,0,0]=4 8439 B12R1.116 CNCc1ccc(cc1)CCBr 26a_100102657272_100009816426 [0,2,0,0,0,0|1,0,1]=4 8440 B12R1.116 CNCc1ccc(cc1)CCN 26a_100102657272_100000743037 [0,2,0,0,0,0|1,0,1]=4 8441 B12R1.116 CNCc1ccc(cc1)CCO 26a_100102657272_100011215338 [0,2,0,0,0,0|0,0,2]=4 8442 B12R1.116 CNCc1ccc(cc1)COC 2230a_100000738208_200000210301 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.116 CNCc1ccc(cc1)COC 26a_100102657272_200011995677 [0,2,0,0,0,0|2,0,0]=4 8444 B12R1.116 CNCc1ccc(cc1)COC 34a_100000738208_200000210301 [0,2,0,0,0,0|2,0,0]=4 8445 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [0,2,0,0,0,0|2,0,0]=4 8446 B12R1.116 CNCc1ccc(cc1)SCF 62a_100000180866_100015361967 [0,2,0,0,0,0|2,0,0]=4 8447 B12R1.116 CNCc1ccc(cc1)SCF 62a_100015361967_100000180866 [0,2,0,0,0,0|2,0,0]=4 8448 B12R1.116 COCc1ccc(cc1)CC#N 7a_100000695229_200000210301 [0,2,0,0,0,0|1,0,1]=4 8449 B12R1.116 COCc1ccc(cc1)CN[13CH3] 2230a_100000738208_200025704644 [0,2,0,0,0,0|2,0,0]=4 8450 B12R1.116 COCc1ccc(cc1)CN[13CH3] 34a_100000738208_200025704644 [0,2,0,0,0,0|2,0,0]=4 8451 B12R1.116 COCc1ccc(cc1)NCF 34a_100000694113_100015361967 [0,2,0,0,0,0|2,0,0]=4 8452 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [0,2,0,0,0,0|2,0,0]=4 8453 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [0,2,0,0,0,0|2,0,0]=4 8454 B12R1.116 COCc1ccc(cc1)SCF 62a_100011493685_100015361967 [0,2,0,0,0,0|2,0,0]=4 8455 B12R1.116 COCc1ccc(cc1)SCF 62a_100015361967_100011493685 [0,2,0,0,0,0|2,0,0]=4 8456 B12R1.116 CSCc1ccc(cc1)NCF 34a_106726388226_100015361967 [0,2,0,0,0,0|2,0,0]=4 8457 B12R1.116 CSCc1ccc(cc1)NCF 7a_106726388226_100015361967 [0,2,0,0,0,0|2,0,0]=4 8458 B12R1.116 FCOc1ccc(cc1)CCBr 34a_100009816426_100015361967 [0,2,0,0,0,0|1,0,1]=4 8459 B12R1.116 FCOc1ccc(cc1)CCBr 7a_100009816426_100015361967 [0,2,0,0,0,0|1,0,1]=4 8460 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_100015361967_200016255901 [0,2,0,0,0,0|1,0,1]=4 8461 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_200016255901_100015361967 [0,2,0,0,0,0|1,0,1]=4 8462 B12R1.116 N#CCc1ccc(cc1)NCF 34a_100000198999_100015361967 [0,2,0,0,0,0|1,0,1]=4 8463 B12R1.116 N#CCc1ccc(cc1)OCF 34a_100000198970_100015361967 [0,2,0,0,0,0|1,0,1]=4 8464 B12R1.116 N#CCc1ccc(cc1)OCF 7a_100000198970_100015361967 [0,2,0,0,0,0|1,0,1]=4 8465 B12R1.116 N#CCc1ccc(cc1)SCF 62a_100011217881_100015361967 [0,2,0,0,0,0|1,0,1]=4 8466 B12R1.116 N#CCc1ccc(cc1)SCF 62a_100015361967_100011217881 [0,2,0,0,0,0|1,0,1]=4 8467 B12R1.116 NCCc1ccc(cc1)OCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,1]=4 8468 B12R1.116 NCCc1ccc(cc1)SCF 62a_100000755846_100015361967 [0,2,0,0,0,0|1,0,1]=4 8469 B12R1.116 NCCc1ccc(cc1)SCF 62a_100015361967_100000755846 [0,2,0,0,0,0|1,0,1]=4 8470 B12R1.116 NNCc1ccc(cc1)SCF 62a_100015361967_100016993955 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.116 NNCc1ccc(cc1)SCF 62a_100016993955_100015361967 [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [0,2,0,0,0,0|0,0,0]=2 8473 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [0,2,0,0,0,0|0,0,0]=2 8474 B12R1.116 OCCc1ccc(cc1)NCF 34a_100011204434_100015361967 [0,2,0,0,0,0|0,0,2]=4 8475 B12R1.116 OCCc1ccc(cc1)OCF 34a_100011215338_100015361967 [0,2,0,0,0,0|0,0,2]=4 8476 B12R1.116 OCCc1ccc(cc1)OCF 7a_100011215338_100015361967 [0,2,0,0,0,0|0,0,2]=4 8477 B12R1.116 OCCc1ccc(cc1)SCF 62a_100000766406_100015361967 [0,2,0,0,0,0|0,0,2]=4 8478 B12R1.116 OCCc1ccc(cc1)SCF 62a_100015361967_100000766406 [0,2,0,0,0,0|0,0,2]=4 8479 B12R1.116 [13CH3]OCc1ccc(cc1)CC#N 7a_100000695229_200025704644 [0,2,0,0,0,0|1,0,1]=4 8480 B12R1.288 CC=Cc1ccc(c(c1)Br)CO 271570a_100016259895_100010240206 [0,2,0,0,0,0|1,0,1]=4 8481 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [0,2,0,0,0,0|1,0,1]=4 8482 B12R1.288 CC=Cc1ccc(c(c1)C)CF 271570a_100016259895_200010711859 [0,2,0,0,0,0|1,0,1]=4 8483 B12R1.288 CC=Cc1ccc(c(c1)C)CN 271570a_100016259895_100000753881 [0,2,0,0,0,0|1,0,1]=4 8484 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [0,2,0,0,0,0|1,0,1]=4 8485 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [0,2,0,0,0,0|1,0,1]=4 8486 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [0,2,0,0,0,0|1,0,1]=4 8487 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [0,2,0,0,0,0|1,0,1]=4 8488 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [0,2,0,0,0,0|1,0,1]=4 8489 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [0,2,0,0,0,0|1,0,1]=4 8490 B12R1.288 CC=Cc1ccc(c(c1)F)CN 271570a_100016259895_100000754580 [0,2,0,0,0,0|1,0,1]=4 8491 B12R1.288 CC=Cc1ccc(c(c1)F)CO 271570a_100016259895_100011191541 [0,2,0,0,0,0|1,0,1]=4 8492 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [0,2,0,0,0,0|1,0,1]=4 8493 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [0,2,0,0,0,0|1,0,1]=4 8494 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [0,2,0,0,0,0|1,0,1]=4 8495 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [0,2,0,0,0,0|1,0,1]=4 8496 B12R1.288 CC=Cc1ccc(c(c1)N)CO 271570a_100016259895_100000718831 [0,2,0,0,0,0|1,0,1]=4 8497 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [0,2,0,0,0,0|1,0,1]=4 8498 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [0,2,0,0,0,0|1,0,1]=4 8499 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [0,2,0,0,0,0|1,0,1]=4 8500 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [0,2,0,0,0,0|1,0,1]=4 8501 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200000210301_200010686677 [0,2,0,0,0,0|1,0,1]=4 8502 B12R1.288 CCCc1ccc(c(c1)F)SC 62a_200010686677_200000210301 [0,2,0,0,0,0|1,0,1]=4 8503 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200010686677_200025704644 [0,2,0,0,0,0|1,0,1]=4 8504 B12R1.288 CCCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010686677 [0,2,0,0,0,0|1,0,1]=4 8505 B12R1.288 CCc1ccc(cc1Cl)CNC 26a_100102657272_100009886192 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.288 CNCc1ccc(c(c1)Br)CO 26a_100102657272_100010146404 [0,2,0,0,0,0|2,0,0]=4 8507 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [0,2,0,0,0,0|2,0,0]=4 8508 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [0,2,0,0,0,0|2,0,0]=4 8509 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [0,2,0,0,0,0|2,0,0]=4 8510 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [0,2,0,0,0,0|2,0,0]=4 8511 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [0,2,0,0,0,0|2,0,0]=4 8512 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [0,2,0,0,0,0|2,0,0]=4 8513 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [0,2,0,0,0,0|2,0,0]=4 8514 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [0,2,0,0,0,0|2,0,0]=4 8515 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [0,2,0,0,0,0|2,0,0]=4 8517 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [0,2,0,0,0,0|2,0,0]=4 8519 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [0,2,0,0,0,0|2,0,0]=4 8520 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.288 CNCc1ccc(c(c1)Cl)CO 26a_100102657272_200000075811 [0,2,0,0,0,0|2,0,0]=4 8522 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [0,2,0,0,0,0|2,0,0]=4 8523 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [0,2,0,0,0,0|2,0,0]=4 8528 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [0,2,0,0,0,0|2,0,0]=4 8529 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [0,2,0,0,0,0|2,0,0]=4 8531 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [0,2,0,0,0,0|2,0,0]=4 8534 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [0,2,0,0,0,0|2,0,0]=4 8535 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [0,2,0,0,0,0|2,0,0]=4 8539 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [0,2,0,0,0,0|2,0,0]=4 8540 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [0,2,0,0,0,0|2,0,0]=4 8543 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [0,2,0,0,0,0|2,0,0]=4 8544 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [0,2,0,0,0,0|2,0,0]=4 8545 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [0,2,0,0,0,0|2,0,0]=4 8547 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [0,2,0,0,0,0|2,0,0]=4 8548 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [0,2,0,0,0,0|2,0,0]=4 8549 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [0,2,0,0,0,0|2,0,0]=4 8550 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [0,2,0,0,0,0|2,0,0]=4 8551 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [0,2,0,0,0,0|2,0,0]=4 8552 B12R1.288 COCc1ccc(c(c1)F)SC 62a_100010177442_200000210301 [0,2,0,0,0,0|2,0,0]=4 8553 B12R1.288 COCc1ccc(c(c1)F)SC 62a_200000210301_100010177442 [0,2,0,0,0,0|2,0,0]=4 8554 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_100010177442_200025704644 [0,2,0,0,0,0|2,0,0]=4 8555 B12R1.288 COCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010177442 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [0,2,0,0,0,0|2,0,0]=4 8558 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [0,2,0,0,0,0|2,0,0]=4 8559 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200000210301_200013033220 [0,2,0,0,0,0|2,0,0]=4 8560 B12R1.288 COCc1ccc(c(c1)N)SC 62a_200013033220_200000210301 [0,2,0,0,0,0|2,0,0]=4 8561 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200013033220_200025704644 [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.288 COCc1ccc(c(c1)N)S[13CH3] 62a_200025704644_200013033220 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [0,2,0,0,0,0|2,0,0]=4 8564 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [0,2,0,0,0,0|2,0,0]=4 8565 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [0,2,0,0,0,0|2,0,0]=4 8569 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [0,2,0,0,0,0|2,0,0]=4 8570 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [0,2,0,0,0,0|2,0,0]=4 8572 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [0,2,0,0,0,0|2,0,0]=4 8573 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [0,2,0,0,0,0|2,0,0]=4 8574 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [0,2,0,0,0,0|2,0,0]=4 8576 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [0,2,0,0,0,0|2,0,0]=4 8578 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [0,2,0,0,0,0|2,0,0]=4 8579 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [0,2,0,0,0,0|2,0,0]=4 8580 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [0,2,0,0,0,0|2,0,0]=4 8581 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [0,2,0,0,0,0|2,0,0]=4 8582 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [0,2,0,0,0,0|2,0,0]=4 8583 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [0,2,0,0,0,0|2,0,0]=4 8584 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [0,2,0,0,0,0|2,0,0]=4 8585 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [0,2,0,0,0,0|2,0,0]=4 8586 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [0,2,0,0,0,0|2,0,0]=4 8587 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [0,2,0,0,0,0|2,0,0]=4 8588 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [0,2,0,0,0,0|2,0,0]=4 8589 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [0,2,0,0,0,0|2,0,0]=4 8590 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [0,2,0,0,0,0|2,0,0]=4 8591 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [0,2,0,0,0,0|2,0,0]=4 8592 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [0,2,0,0,0,0|2,0,0]=4 8594 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [0,2,0,0,0,0|2,0,0]=4 8595 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [0,2,0,0,0,0|2,0,0]=4 8596 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [0,2,0,0,0,0|1,0,1]=4 8598 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [0,2,0,0,0,0|1,0,1]=4 8599 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [0,2,0,0,0,0|0,0,2]=4 8600 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.288 CSc1ccc(cc1C)CC#N 62a_100000726167_200000210301 [0,2,0,0,0,0|1,0,1]=4 8602 B12R1.288 CSc1ccc(cc1C)CC#N 62a_200000210301_100000726167 [0,2,0,0,0,0|1,0,1]=4 8603 B12R1.288 CSc1ccc(cc1F)CC#N 62a_100000691973_200000210301 [0,2,0,0,0,0|1,0,1]=4 8604 B12R1.288 CSc1ccc(cc1F)CC#N 62a_200000210301_100000691973 [0,2,0,0,0,0|1,0,1]=4 8605 B12R1.288 CSc1ccc(cc1F)CCO 62a_100012921202_200000210301 [0,2,0,0,0,0|0,0,2]=4 8606 B12R1.288 CSc1ccc(cc1F)CCO 62a_200000210301_100012921202 [0,2,0,0,0,0|0,0,2]=4 8607 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_100000726167_200025704644 [0,2,0,0,0,0|1,0,1]=4 8608 B12R1.288 Cc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100000726167 [0,2,0,0,0,0|1,0,1]=4 8609 B12R1.288 [13CH3]Sc1ccc(cc1F)CC#N 62a_100000691973_200025704644 [0,2,0,0,0,0|1,0,1]=4 8610 B12R1.288 [13CH3]Sc1ccc(cc1F)CC#N 62a_200025704644_100000691973 [0,2,0,0,0,0|1,0,1]=4 8611 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_100012921202_200025704644 [0,2,0,0,0,0|0,0,2]=4 8612 B12R1.288 [13CH3]Sc1ccc(cc1F)CCO 62a_200025704644_100012921202 [0,2,0,0,0,0|0,0,2]=4 8613 B12R1.44 CC=Cc1cc(c(c(c1)Br)C)Br 271570a_100016259895_100011099977 [0,2,0,0,0,0|1,0,1]=4 8614 B12R1.44 CC=Cc1cc(c(c(c1)C)C)C 271570a_100016259895_200011015895 [0,2,0,0,0,0|1,0,1]=4 8615 B12R1.44 CC=Cc1cc(c(c(c1)F)C)F 271570a_100016259895_100009814309 [0,2,0,0,0,0|1,0,1]=4 8616 B12R1.44 CC=Cc1cc(c(c(c1)F)C)N 271570a_100016259895_100009813729 [0,2,0,0,0,0|1,0,1]=4 8617 B12R1.44 CNCc1cc(c(c(c1)Br)C)Br 26a_100102657272_100009813510 [0,2,0,0,0,0|2,0,0]=4 8618 B12R1.44 CNCc1cc(c(c(c1)Br)C)C 26a_100102657272_100010068915 [0,2,0,0,0,0|2,0,0]=4 8619 B12R1.44 CNCc1cc(c(c(c1)Br)C)F 207a_100102657272_100010132949 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.44 CNCc1cc(c(c(c1)Br)C)F 270004a_106832991635_100010132949 [0,2,0,0,0,0|2,0,0]=4 8621 B12R1.44 CNCc1cc(c(c(c1)F)C)F 207a_100102657272_100010871986 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.44 CNCc1cc(c(c(c1)F)C)F 270004a_106832991635_100010871986 [0,2,0,0,0,0|2,0,0]=4 8623 B12R1.44 CNCc1cc(c(c(c1)I)C)I 207a_100102657272_100010200668 [0,2,0,0,0,0|2,0,0]=4 8624 B12R1.286 C=Cc1cc(ccc1C)COC 271570a_100011290941_200015395492 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.286 CC=Cc1ccc(c(c1)C#N)C 271570a_100016259895_100000698047 [0,2,0,0,0,0|1,0,1]=4 8626 B12R1.286 CC=Cc1ccc(c(c1)C=O)C 271570a_100016259895_100011361606 [0,2,0,0,0,0|1,0,1]=4 8627 B12R1.286 CC=Cc1ccc(c(c1)CO)C 271570a_100016259895_100000700630 [0,2,0,0,0,0|1,0,1]=4 8628 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [0,2,0,0,0,0|1,0,1]=4 8629 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,2,0,0,0,0|1,0,1]=4 8630 B12R1.286 CNCc1ccc(c(c1)C#N)C 207a_100102657272_100012017333 [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.286 CNCc1ccc(c(c1)C#N)C 270004a_106832991635_100012017333 [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [0,2,0,0,0,0|2,0,0]=4 8637 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [0,2,0,0,0,0|2,0,0]=4 8638 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [0,2,0,0,0,0|2,0,0]=4 8639 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [0,2,0,0,0,0|2,0,0]=4 8640 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,2,0,0,0,0|2,0,0]=4 8641 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,2,0,0,0,0|2,0,0]=4 8642 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,0,1,1,0,0|0,0,2]=4 8643 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [0,0,1,1,0,0|1,0,1]=4 8644 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,0,1,1,0,0|1,0,1]=4 8645 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|1,0,1]=4 8646 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,1]=4 8647 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [0,1,0,1,0,0|1,0,1]=4 8648 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|1,0,0]=3 8649 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,1,0,1,0,0|2,0,0]=4 8650 B12R2.132 O=C1CCc2c1nc(cc2)O 271570a_203496583355_100000701527 [0,1,0,1,0,0|2,0,0]=4 8651 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|1,0,0]=3 8652 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [0,1,0,1,0,0|1,0,0]=3 8653 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [0,1,0,1,0,0|1,0,0]=3 8654 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [0,1,0,1,0,0|2,0,0]=4 8655 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,1,0,1,0,0|2,0,0]=4 8656 B12R2.294 Cc1ccc(cc1)NC2CC2 34a_100000124888_100000211595 [0,1,0,1,0,0|1,0,1]=4 8657 B12R2.294 Cc1ccc(cc1)OC2CC2 34a_100000210336_100000211595 [0,1,0,1,0,0|1,0,1]=4 8658 B12R2.294 Cc1ccc(cc1)SC2CC2 62a_100000186775_100000211595 [0,1,0,1,0,0|1,0,1]=4 8659 B12R2.606 Cc1ccc2nc(sc2c1)O 271570a_203496583355_100010186437 [0,1,0,1,0,0|1,0,1]=4 8660 B12R2.606 O=C1Cc2cc(ccc2N1)O 271570a_203496583355_100000754858 [0,1,0,1,0,0|2,0,0]=4 8661 B12R2.606 O=C1Cc2ccc(cc2C1)O 271570a_203496583355_100010185598 [0,1,0,1,0,0|1,0,0]=3 8662 B12R2.606 O=C1Cc2ccc(cc2N1)O 271570a_203496583355_100000760487 [0,1,0,1,0,0|1,0,0]=3 8663 B12R2.606 O=C1Cc2ccc(nc2N1)O 271570a_203496583355_100000104062 [0,1,0,1,0,0|2,0,0]=4 8664 B12R2.606 O=C1Cc2cnc(cc2N1)O 271570a_203496583355_100000089690 [0,1,0,1,0,0|2,0,0]=4 8665 B12R2.606 O=C1Cc2ncc(cc2N1)O 271570a_203496583355_100010168558 [0,1,0,1,0,0|2,0,0]=4 8666 B12R2.606 O=c1[nH]c2cc(ccc2o1)O 271570a_203496583355_100000764829 [0,1,0,1,0,0|2,0,0]=4 8667 B12R2.606 O=c1[nH]c2cc(ccc2s1)O 271570a_203496583355_100000239354 [0,1,0,1,0,0|2,0,0]=4 8668 B12R2.606 O=c1[nH]c2ccc(cc2[nH]1)O 271570a_203496583355_100011221360 [0,1,0,1,0,0|2,0,0]=4 8669 B12R2.606 O=c1[nH]c2ccc(cc2o1)O 271570a_203496583355_100000697996 [0,1,0,1,0,0|2,0,0]=4 8670 B12R2.606 O=c1[nH]c2ccc(cc2s1)O 271570a_203496583355_100009813980 [0,1,0,1,0,0|2,0,0]=4 8671 B12R2.246 Cc1cc(c2[nH]cnc2c1)O 271570a_203496583355_100010107307 [0,1,0,1,0,0|2,0,0]=4 8672 B12R2.246 Cc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010186026 [0,1,0,1,0,0|1,0,1]=4 8673 B12R2.246 Cc1cc(c2occc2c1)O 271570a_203496583355_100012361857 [0,1,0,1,0,0|2,0,0]=4 8674 B12R2.1317 Cc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100009813563 [0,1,0,1,0,0|1,0,1]=4 8675 B12R2.1317 Cc1ccc(c(c1)C)C2CC2 271570a_100011220607_100011217332 [0,1,0,1,0,0|1,0,1]=4 8676 B12R2.1317 Cc1ccc(c(c1)Cl)C2CC2 271570a_100011220607_100011263221 [0,1,0,1,0,0|1,0,1]=4 8677 B12R2.1317 Cc1ccc(c(c1)F)C2CC2 271570a_100011220607_100011216119 [0,1,0,1,0,0|1,0,1]=4 8678 B12R2.1317 Cc1ccc(c(c1)N)C2CC2 271570a_100011220607_100011216686 [0,1,0,1,0,0|1,0,1]=4 8679 B12R2.1317 Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100012002257 [0,1,0,1,0,0|1,0,1]=4 8680 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [0,1,0,1,0,0|1,0,1]=4 8681 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [0,1,0,1,0,0|1,0,1]=4 8682 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [0,1,0,1,0,0|1,0,1]=4 8683 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,1,0,1,0,0|1,0,1]=4 8684 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,1,0,1,0,0|1,0,1]=4 8685 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,1,0,1,0,0|1,0,1]=4 8686 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [0,1,0,1,0,0|1,0,1]=4 8687 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [0,1,0,1,0,0|1,0,1]=4 8688 B12R2.9 FCc1ccc(cc1)C2CC2 271570a_100011220607_100010268989 [0,1,0,1,0,0|1,0,1]=4 8689 B12R2.9 NCc1ccc(cc1)C2CC2 271570a_100011220607_100016989417 [0,1,0,1,0,0|1,0,1]=4 8690 B12R2.9 OCc1ccc(cc1)C2CC2 271570a_100011220607_100000690907 [0,1,0,1,0,0|1,0,1]=4 8691 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [0,1,0,1,0,0|1,0,1]=4 8692 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,1,0,1,0,0|1,0,1]=4 8693 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,1,0,1,0,0|1,0,1]=4 8694 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [0,1,0,1,0,0|1,0,1]=4 8695 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,1,0,1,0,0|1,0,1]=4 8696 B12R2.44 CNc1ccc2c(c1)CCC2 2230a_100000211504_200000210301 [0,1,0,1,0,0|1,0,1]=4 8697 B12R2.44 CNc1ccc2c(c1)CCC2 34a_100000211504_200000210301 [0,1,0,1,0,0|1,0,1]=4 8698 B12R2.44 CNc1ccc2c(c1)COC2 2230a_100011728444_200000210301 [0,1,0,1,0,0|2,0,0]=4 8699 B12R2.44 CNc1ccc2c(c1)COC2 34a_100011728444_200000210301 [0,1,0,1,0,0|2,0,0]=4 8700 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,1,0,1,0,0|0,0,2]=4 8701 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,1,0,1,0,0|1,0,1]=4 8702 B12R2.44 CNc1ccc2ncsc2c1 34a_100011215093_200000210301 [0,1,0,1,0,0|1,1,0]=4 8703 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,1,0,1,0,0|2,0,0]=4 8704 B12R2.44 CNc1ccc2ocnc2c1 34a_100011219863_200000210301 [0,1,0,1,0,0|2,0,0]=4 8705 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [0,1,0,1,0,0|2,0,0]=4 8706 B12R2.44 CNc1ccc2scnc2c1 34a_100000047738_200000210301 [0,1,0,1,0,0|2,0,0]=4 8707 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,1,0,1,0,0|2,0,0]=4 8708 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,1,0,1,0,0|1,0,1]=4 8709 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,1,0,1,0,0|1,0,1]=4 8710 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,1,0,1,0,0|2,0,0]=4 8711 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,1,0,1,0,0|1,0,1]=4 8712 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,1,0,1,0,0|1,0,1]=4 8713 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,1,0,1,0,0|0,0,2]=4 8714 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,1,0,1,0,0|0,0,2]=4 8715 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,1,0,1,0,0|1,1,0]=4 8716 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,1,0,1,0,0|1,1,0]=4 8717 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,1,0,1,0,0|2,0,0]=4 8718 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,1,0,1,0,0|2,0,0]=4 8719 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,1,0,1,0,0|2,0,0]=4 8720 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,1,0,1,0,0|2,0,0]=4 8721 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,1,0,1,0,0|2,0,0]=4 8722 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,1,0,1,0,0|2,0,0]=4 8723 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [0,1,0,1,0,0|2,0,0]=4 8724 B12R2.44 CSc1ccc2[nH]cnc2c1 62a_200000210301_100011265325 [0,1,0,1,0,0|2,0,0]=4 8725 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,1,0,1,0,0|1,0,0]=3 8726 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,1,0,1,0,0|1,0,0]=3 8727 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [0,1,0,1,0,0|1,0,1]=4 8728 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [0,1,0,1,0,0|1,0,1]=4 8729 B12R2.44 CSc1ccc2c(c1)CCC2 62a_100000745594_200000210301 [0,1,0,1,0,0|1,0,1]=4 8730 B12R2.44 CSc1ccc2c(c1)CCC2 62a_200000210301_100000745594 [0,1,0,1,0,0|1,0,1]=4 8731 B12R2.44 CSc1ccc2c(c1)CNC2 62a_100000702344_200000210301 [0,1,0,1,0,0|2,0,0]=4 8732 B12R2.44 CSc1ccc2c(c1)CNC2 62a_200000210301_100000702344 [0,1,0,1,0,0|2,0,0]=4 8733 B12R2.44 CSc1ccc2c(c1)COC2 62a_100000698232_200000210301 [0,1,0,1,0,0|2,0,0]=4 8734 B12R2.44 CSc1ccc2c(c1)COC2 62a_200000210301_100000698232 [0,1,0,1,0,0|2,0,0]=4 8735 B12R2.44 CSc1ccc2c(c1)NCC2 62a_100000754641_200000210301 [0,1,0,1,0,0|1,0,1]=4 8736 B12R2.44 CSc1ccc2c(c1)NCC2 62a_200000210301_100000754641 [0,1,0,1,0,0|1,0,1]=4 8737 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,1,0,1,0,0|0,0,2]=4 8738 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,1,0,1,0,0|0,0,2]=4 8739 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [0,1,0,1,0,0|1,0,1]=4 8740 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,1,0,1,0,0|0,0,2]=4 8741 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [0,1,0,1,0,0|0,1,1]=4 8742 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,1,0,1,0,0|1,0,1]=4 8743 B12R2.44 CSc1ccc2ncsc2c1 62a_100009816678_200000210301 [0,1,0,1,0,0|1,1,0]=4 8744 B12R2.44 CSc1ccc2ncsc2c1 62a_200000210301_100009816678 [0,1,0,1,0,0|1,1,0]=4 8745 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,1,0,1,0,0|2,0,0]=4 8746 B12R2.44 CSc1ccc2ocnc2c1 62a_200000210301_100009816175 [0,1,0,1,0,0|2,0,0]=4 8747 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [0,1,0,1,0,0|2,0,0]=4 8748 B12R2.44 CSc1ccc2scnc2c1 62a_200000210301_100010005895 [0,1,0,1,0,0|2,0,0]=4 8749 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 2230a_100000211504_200025704644 [0,1,0,1,0,0|1,0,1]=4 8750 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 34a_100000211504_200025704644 [0,1,0,1,0,0|1,0,1]=4 8751 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 2230a_100011728444_200025704644 [0,1,0,1,0,0|2,0,0]=4 8752 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 34a_100011728444_200025704644 [0,1,0,1,0,0|2,0,0]=4 8753 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,1,0,1,0,0|0,0,2]=4 8754 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,1,0,1,0,0|1,0,1]=4 8755 B12R2.44 [13CH3]Nc1ccc2ncsc2c1 34a_100011215093_200025704644 [0,1,0,1,0,0|1,1,0]=4 8756 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,1,0,1,0,0|2,0,0]=4 8757 B12R2.44 [13CH3]Nc1ccc2ocnc2c1 34a_100011219863_200025704644 [0,1,0,1,0,0|2,0,0]=4 8758 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [0,1,0,1,0,0|2,0,0]=4 8759 B12R2.44 [13CH3]Nc1ccc2scnc2c1 34a_100000047738_200025704644 [0,1,0,1,0,0|2,0,0]=4 8760 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,1,0,1,0,0|2,0,0]=4 8761 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,1,0,1,0,0|1,0,1]=4 8762 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,1,0,1,0,0|1,0,1]=4 8763 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,1,0,1,0,0|2,0,0]=4 8764 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,1,0,1,0,0|1,0,1]=4 8765 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,1,0,1,0,0|1,0,1]=4 8766 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,1,0,1,0,0|0,0,2]=4 8767 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,1,0,1,0,0|0,0,2]=4 8768 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,1,0,1,0,0|1,1,0]=4 8769 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,1,0,1,0,0|1,1,0]=4 8770 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,1,0,1,0,0|2,0,0]=4 8771 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,1,0,1,0,0|2,0,0]=4 8772 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,1,0,1,0,0|2,0,0]=4 8773 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,1,0,1,0,0|2,0,0]=4 8774 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,1,0,1,0,0|2,0,0]=4 8775 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,1,0,1,0,0|2,0,0]=4 8776 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [0,1,0,1,0,0|2,0,0]=4 8777 B12R2.44 [13CH3]Sc1ccc2[nH]cnc2c1 62a_200025704644_100011265325 [0,1,0,1,0,0|2,0,0]=4 8778 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,1,0,1,0,0|1,0,0]=3 8779 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,1,0,1,0,0|1,0,0]=3 8780 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [0,1,0,1,0,0|1,0,1]=4 8781 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [0,1,0,1,0,0|1,0,1]=4 8782 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_100000745594_200025704644 [0,1,0,1,0,0|1,0,1]=4 8783 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_200025704644_100000745594 [0,1,0,1,0,0|1,0,1]=4 8784 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_100000702344_200025704644 [0,1,0,1,0,0|2,0,0]=4 8785 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_200025704644_100000702344 [0,1,0,1,0,0|2,0,0]=4 8786 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_100000698232_200025704644 [0,1,0,1,0,0|2,0,0]=4 8787 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_200025704644_100000698232 [0,1,0,1,0,0|2,0,0]=4 8788 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_100000754641_200025704644 [0,1,0,1,0,0|1,0,1]=4 8789 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_200025704644_100000754641 [0,1,0,1,0,0|1,0,1]=4 8790 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,1,0,1,0,0|0,0,2]=4 8791 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,1,0,1,0,0|0,0,2]=4 8792 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [0,1,0,1,0,0|1,0,1]=4 8793 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,1,0,1,0,0|0,0,2]=4 8794 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [0,1,0,1,0,0|0,1,1]=4 8795 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,1,0,1,0,0|1,0,1]=4 8796 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_100009816678_200025704644 [0,1,0,1,0,0|1,1,0]=4 8797 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_200025704644_100009816678 [0,1,0,1,0,0|1,1,0]=4 8798 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,1,0,1,0,0|2,0,0]=4 8799 B12R2.44 [13CH3]Sc1ccc2ocnc2c1 62a_200025704644_100009816175 [0,1,0,1,0,0|2,0,0]=4 8800 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [0,1,0,1,0,0|2,0,0]=4 8801 B12R2.44 [13CH3]Sc1ccc2scnc2c1 62a_200025704644_100010005895 [0,1,0,1,0,0|2,0,0]=4 8802 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,1,0,1,0,0|1,0,1]=4 8803 B12R2.143 CNCc1ccc2c(c1)CC2 207a_100102657272_100010273998 [0,1,0,1,0,0|2,0,0]=4 8804 B12R2.143 CNCc1ccc2c(c1)CC2 270004a_106832991635_100010273998 [0,1,0,1,0,0|2,0,0]=4 8805 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [0,1,0,1,0,0|2,0,0]=4 8806 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [0,1,0,1,0,0|2,0,0]=4 8807 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [0,1,0,1,0,0|2,0,0]=4 8808 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [0,1,0,1,0,0|2,0,0]=4 8809 B12R2.82 Cc1ccc2[nH]ccc2c1O 271570a_203496583355_100010248896 [0,1,0,1,0,0|2,0,0]=4 8810 B12R2.82 Cc1ccc2cc[nH]c2c1O 271570a_203496583355_100010717004 [0,1,0,1,0,0|1,0,1]=4 8811 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [0,1,0,1,0,0|1,0,1]=4 8812 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,1,0,1,0,0|2,0,0]=4 8813 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,1,0,1,0,0|2,0,0]=4 8814 B12R2.100 Cc1cc2nc[nH]c2cc1O 271570a_203496583355_200010107306 [0,1,0,1,0,0|2,0,0]=4 8815 B12R2.291 Cc1ccc(cc1Br)C2CC2 271570a_100011220607_100011847877 [0,1,0,1,0,0|1,0,1]=4 8816 B12R2.291 Cc1ccc(cc1C)C2CC2 271570a_100011220607_100011215607 [0,1,0,1,0,0|1,0,1]=4 8817 B12R2.291 Cc1ccc(cc1Cl)C2CC2 271570a_100011220607_100011216363 [0,1,0,1,0,0|1,0,1]=4 8818 B12R2.291 Cc1ccc(cc1F)C2CC2 271570a_100011220607_100000720648 [0,1,0,1,0,0|1,0,1]=4 8819 B12R2.291 Cc1ccc(cc1N)C2CC2 271570a_100011220607_100000761890 [0,1,0,1,0,0|1,0,1]=4 8820 B12R2.291 Cc1ccc(cc1O)C2CC2 271570a_100011220607_100000766334 [0,1,0,1,0,0|1,0,1]=4 8821 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,1,0|1,0,1]=4 8822 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,0,1,0|1,0,1]=4 8823 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,0,0,0,1,0|1,0,1]=4 8824 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,1,0|2,0,0]=4 8825 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,1,0|2,0,0]=4 8826 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,1,0|2,0,0]=4 8827 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,1,0|2,0,0]=4 8828 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,1,0|2,0,0]=4 8829 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,1,0|2,0,0]=4