0 B14R1.15069 C=C=Cc1cc(c(cc1OC)Br)OC 271570a_100015277604_100013799044 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.15069 C=C=Cc1cc(c(cc1OC)C)OC 271570a_100015277604_100000039368 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.15069 C=C=Cc1cc(c(cc1OC)Cl)OC 271570a_100015277604_100000023288 [0,0,0,0,0,0|1,1,2]=4 3 B14R1.15069 C=C=Cc1cc(c(cc1OC)O)OC 271570a_100015277604_100009816818 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.15069 CC=Cc1cc(c(cc1OC)Br)OC 271570a_100016259895_100013799044 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.15069 CC=Cc1cc(c(cc1OC)C)OC 271570a_100016259895_100000039368 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.15069 CC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016259895_100000023288 [0,0,0,0,0,0|1,1,2]=4 7 B14R1.15069 CC=Cc1cc(c(cc1OC)O)OC 271570a_100016259895_100009816818 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210202 [0,0,0,0,0,0|2,1,0]=3 9 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210202 [0,0,0,0,0,0|2,1,0]=3 10 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 34a_100009814618_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 7a_100009814618_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210202 [0,0,0,0,0,0|2,0,0]=2 13 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210202 [0,0,0,0,0,0|2,0,0]=2 14 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210202 [0,0,0,0,0,0|4,0,0]=4 15 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210202 [0,0,0,0,0,0|4,0,0]=4 16 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 34a_100009814618_200025704644 [0,0,0,0,0,0|4,0,0]=4 17 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 7a_100009814618_200025704644 [0,0,0,0,0,0|4,0,0]=4 18 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100000210202_100013799044 [0,0,0,0,0,0|2,0,0]=2 19 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210202 [0,0,0,0,0,0|2,0,0]=2 20 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210202 [0,0,0,0,0,0|3,0,0]=3 21 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000210202_100000039368 [0,0,0,0,0,0|3,0,0]=3 22 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210202 [0,0,0,0,0,0|2,1,0]=3 23 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000210202_100000023288 [0,0,0,0,0,0|2,1,0]=3 24 B14R1.15069 CCc1cc(c(cc1C)OC)OCF 34a_200010661296_100015361967 [0,0,0,0,0,0|4,0,0]=4 25 B14R1.15069 CCc1cc(c(cc1C)OC)OCF 7a_200010661296_100015361967 [0,0,0,0,0,0|4,0,0]=4 26 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 207a_100102657272_100000188581 [0,0,0,0,0,0|2,0,0]=2 27 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 26a_100102657272_100009816818 [0,0,0,0,0,0|2,0,0]=2 28 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 270004a_106832991635_100000188581 [0,0,0,0,0,0|2,0,0]=2 29 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 207a_100102657272_100000079178 [0,0,0,0,0,0|3,0,0]=3 30 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 270004a_106832991635_100000079178 [0,0,0,0,0,0|3,0,0]=3 31 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 207a_100102657272_100010168916 [0,0,0,0,0,0|2,1,0]=3 32 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 270004a_106832991635_100010168916 [0,0,0,0,0,0|2,1,0]=3 33 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 207a_100102657272_200010262236 [0,0,0,0,0,0|2,1,0]=3 34 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 270004a_106832991635_200010262236 [0,0,0,0,0,0|2,1,0]=3 35 B14R1.15069 COCc1cc(c(cc1OC)C)OC 34a_200010309539_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B14R1.15069 COCc1cc(c(cc1OC)C)OC 7a_200010309539_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 34a_100009816818_100015361967 [0,0,0,0,0,0|2,0,0]=2 38 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 7a_100009816818_100015361967 [0,0,0,0,0,0|2,0,0]=2 39 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100013799044_100015361967 [0,0,0,0,0,0|2,0,0]=2 40 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100015361967_100013799044 [0,0,0,0,0,0|2,0,0]=2 41 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 34a_200010309539_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 7a_200010309539_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100000039368_100015361967 [0,0,0,0,0,0|3,0,0]=3 44 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100015361967_100000039368 [0,0,0,0,0,0|3,0,0]=3 45 B14R1.15069 COc1cc(c(cc1Cl)OC)NCF 34a_100000179761_100015361967 [0,0,0,0,0,0|2,1,0]=3 46 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100000023288_100015361967 [0,0,0,0,0,0|2,1,0]=3 47 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100015361967_100000023288 [0,0,0,0,0,0|2,1,0]=3 48 B13R1.355 C=C=Cc1cc(ccc1OC)OC 271570a_100015277604_100011215452 [1,0,0,0,0,0|1,0,2]=4 49 B13R1.355 C=CCc1cc(ccc1OC)OC 7a_200000185190_200000210301 [1,0,0,0,0,0|1,0,1]=3 50 B13R1.355 C=CCc1cc(ccc1O[13CH3])OC 7a_200000185190_200025704644 [1,0,0,0,0,0|1,0,1]=3 51 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [1,0,0,0,0,0|1,0,1]=3 52 B13R1.355 C=Cc1ccc(cc1CCO)OC 271570a_100011290941_100012259501 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [1,0,0,0,0,0|1,0,2]=4 54 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [1,0,0,0,0,0|2,0,0]=3 58 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [1,0,0,0,0,0|3,0,0]=4 59 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [1,0,0,0,0,0|3,0,0]=4 60 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [1,0,0,0,0,0|3,0,0]=4 62 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [1,0,0,0,0,0|3,0,0]=4 63 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [1,0,0,0,0,0|3,0,0]=4 64 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [1,0,0,0,0,0|3,0,0]=4 65 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [1,0,0,0,0,0|2,0,0]=3 66 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [1,0,0,0,0,0|2,0,0]=3 67 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [1,0,0,0,0,0|3,0,0]=4 69 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [1,0,0,0,0,0|3,0,0]=4 70 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [1,0,0,0,0,0|3,0,0]=4 71 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [1,0,0,0,0,0|3,0,0]=4 72 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [1,0,0,0,0,0|3,0,0]=4 74 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [1,0,0,0,0,0|3,0,0]=4 75 B13R1.355 CNCc1cc(ccc1OC)OC 207a_100102657272_100000170336 [1,0,0,0,0,0|2,0,0]=3 76 B13R1.355 CNCc1cc(ccc1OC)OC 26a_100102657272_100000074795 [1,0,0,0,0,0|2,0,0]=3 77 B13R1.355 CNCc1cc(ccc1OC)OC 270004a_106832991635_100000170336 [1,0,0,0,0,0|2,0,0]=3 78 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100000185951_200000210301 [1,0,0,0,0,0|2,0,0]=3 79 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100102657272_100011233847 [1,0,0,0,0,0|2,0,0]=3 80 B13R1.355 CNCc1cc(ccc1OC)OC 7a_106832991635_100000205131 [1,0,0,0,0,0|2,0,0]=3 81 B13R1.355 CNCc1cc(ccc1OC)SC 62a_100000690607_200000210301 [1,0,0,0,0,0|2,1,0]=4 82 B13R1.355 CNCc1cc(ccc1OC)SC 62a_200000210301_100000690607 [1,0,0,0,0,0|2,1,0]=4 83 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_100000690607_200025704644 [1,0,0,0,0,0|2,1,0]=4 84 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100000690607 [1,0,0,0,0,0|2,1,0]=4 85 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_100015361967_114948341033 [1,0,0,0,0,0|3,0,0]=4 86 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_114948341033_100015361967 [1,0,0,0,0,0|3,0,0]=4 87 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [1,0,0,0,0,0|2,0,0]=3 88 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [1,0,0,0,0,0|2,0,0]=3 89 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [1,0,0,0,0,0|2,1,0]=4 90 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [1,0,0,0,0,0|2,1,0]=4 91 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [1,0,0,0,0,0|2,1,0]=4 92 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [1,0,0,0,0,0|2,1,0]=4 93 B13R1.355 COc1ccc(c(c1)CC#N)SC 62a_100012259381_200000210301 [1,0,0,0,0,0|0,1,2]=4 94 B13R1.355 COc1ccc(c(c1)CC#N)SC 62a_200000210301_100012259381 [1,0,0,0,0,0|0,1,2]=4 95 B13R1.355 COc1ccc(c(c1)CC#N)S[13CH3] 62a_100012259381_200025704644 [1,0,0,0,0,0|0,1,2]=4 96 B13R1.355 COc1ccc(c(c1)CC#N)S[13CH3] 62a_200025704644_100012259381 [1,0,0,0,0,0|0,1,2]=4 97 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_100012259501_200000210301 [1,0,0,0,0,0|1,1,0]=3 98 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_200000210301_100012259501 [1,0,0,0,0,0|1,1,0]=3 99 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_100012259501_200025704644 [1,0,0,0,0,0|1,1,0]=3 100 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_200025704644_100012259501 [1,0,0,0,0,0|1,1,0]=3 101 B13R1.355 COc1ccc(c(c1)CN[13CH3])OC 34a_100000185951_200025704644 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [1,0,0,0,0,0|2,0,0]=3 103 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_100000205131_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_200000210301_100011233847 [1,0,0,0,0,0|2,0,0]=3 105 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_100000205131_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_200025704644_100011233847 [1,0,0,0,0,0|2,0,0]=3 107 B13R1.355 COc1ccc(c(c1)NCF)OC 34a_100000184736_100015361967 [1,0,0,0,0,0|2,0,0]=3 108 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [1,0,0,0,0,0|2,0,0]=3 109 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100011215452_100015361967 [1,0,0,0,0,0|2,0,0]=3 110 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100015361967_100011215452 [1,0,0,0,0,0|2,0,0]=3 111 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200000210301_200011218486 [1,0,0,0,0,0|0,1,2]=4 112 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200011218486_200000210301 [1,0,0,0,0,0|0,1,2]=4 113 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200011218486_200025704644 [1,0,0,0,0,0|0,1,2]=4 114 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200025704644_200011218486 [1,0,0,0,0,0|0,1,2]=4 115 B13R1.355 COc1ccc(cc1CCN)SC 62a_100000763266_200000210301 [1,0,0,0,0,0|0,1,0]=2 116 B13R1.355 COc1ccc(cc1CCN)SC 62a_200000210301_100000763266 [1,0,0,0,0,0|0,1,0]=2 117 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_100000763266_200025704644 [1,0,0,0,0,0|0,1,0]=2 118 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_200025704644_100000763266 [1,0,0,0,0,0|0,1,0]=2 119 B13R1.2200 C=Cc1cc(c(cc1OC)Br)OC 271570a_100011290941_100013799044 [1,0,0,0,0,0|0,0,2]=3 120 B13R1.2200 C=Cc1cc(c(cc1OC)C)OC 271570a_100011290941_100000039368 [1,0,0,0,0,0|1,0,2]=4 121 B13R1.2200 C=Cc1cc(c(cc1OC)Cl)OC 271570a_100011290941_100000023288 [1,0,0,0,0,0|0,1,2]=4 122 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [1,0,0,0,0,0|1,0,2]=4 123 B13R1.2200 CCc1cc(c(cc1C)OC)OC 34a_200010661296_200000210301 [1,0,0,0,0,0|3,0,0]=4 124 B13R1.2200 CCc1cc(c(cc1C)OC)OC 7a_200010661296_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 34a_200010661296_200025704644 [1,0,0,0,0,0|3,0,0]=4 126 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 7a_200010661296_200025704644 [1,0,0,0,0,0|3,0,0]=4 127 B13R1.2200 CCc1cc(c(cc1F)OC)OC 34a_100000070332_200000210301 [1,0,0,0,0,0|2,1,0]=4 128 B13R1.2200 CCc1cc(c(cc1F)OC)OC 7a_100000070332_200000210301 [1,0,0,0,0,0|2,1,0]=4 129 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 34a_100000070332_200025704644 [1,0,0,0,0,0|2,1,0]=4 130 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 7a_100000070332_200025704644 [1,0,0,0,0,0|2,1,0]=4 131 B13R1.2200 CNc1cc(c(cc1C)OC)OC 34a_100000183460_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B13R1.2200 CNc1cc(c(cc1F)OC)OC 34a_100000753170_200000210301 [1,0,0,0,0,0|2,1,0]=4 133 B13R1.2200 CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_200000210301 [1,0,0,0,0,0|1,1,0]=3 134 B13R1.2200 CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_200000210301 [1,0,0,0,0,0|1,1,0]=3 135 B13R1.2200 CNc1cc(c(cc1OC)OC)Cl 2230a_100000212179_200000210301 [1,0,0,0,0,0|2,1,0]=4 136 B13R1.2200 CNc1cc(c(cc1OC)OC)Cl 34a_100000212179_200000210301 [1,0,0,0,0,0|2,1,0]=4 137 B13R1.2200 CNc1cc(c(cc1OC)OC)F 2230a_100000762594_200000210301 [1,0,0,0,0,0|2,1,0]=4 138 B13R1.2200 CNc1cc(c(cc1OC)OC)F 34a_100000762594_200000210301 [1,0,0,0,0,0|2,1,0]=4 139 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [1,0,0,0,0,0|1,0,0]=2 140 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [1,0,0,0,0,0|1,0,0]=2 141 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [1,0,0,0,0,0|1,0,0]=2 142 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [1,0,0,0,0,0|1,0,0]=2 143 B13R1.2200 COc1cc(c(cc1Br)OC)SC 62a_100013799044_200000210301 [1,0,0,0,0,0|1,0,0]=2 144 B13R1.2200 COc1cc(c(cc1Br)OC)SC 62a_200000210301_100013799044 [1,0,0,0,0,0|1,0,0]=2 145 B13R1.2200 COc1cc(c(cc1Br)OC)S[13CH3] 62a_100013799044_200025704644 [1,0,0,0,0,0|1,0,0]=2 146 B13R1.2200 COc1cc(c(cc1Br)OC)S[13CH3] 62a_200025704644_100013799044 [1,0,0,0,0,0|1,0,0]=2 147 B13R1.2200 COc1cc(c(cc1C)OC)SC 62a_100000039368_200000210301 [1,0,0,0,0,0|2,0,0]=3 148 B13R1.2200 COc1cc(c(cc1C)OC)SC 62a_200000210301_100000039368 [1,0,0,0,0,0|2,0,0]=3 149 B13R1.2200 COc1cc(c(cc1C)OC)S[13CH3] 62a_100000039368_200025704644 [1,0,0,0,0,0|2,0,0]=3 150 B13R1.2200 COc1cc(c(cc1C)OC)S[13CH3] 62a_200025704644_100000039368 [1,0,0,0,0,0|2,0,0]=3 151 B13R1.2200 COc1cc(c(cc1Cl)N[13CH3])OC 2230a_100000212179_200025704644 [1,0,0,0,0,0|2,1,0]=4 152 B13R1.2200 COc1cc(c(cc1Cl)N[13CH3])OC 34a_100000212179_200025704644 [1,0,0,0,0,0|2,1,0]=4 153 B13R1.2200 COc1cc(c(cc1Cl)OC)N[13CH3] 2230a_100000179761_200025704644 [1,0,0,0,0,0|1,1,0]=3 154 B13R1.2200 COc1cc(c(cc1Cl)OC)N[13CH3] 34a_100000179761_200025704644 [1,0,0,0,0,0|1,1,0]=3 155 B13R1.2200 COc1cc(c(cc1Cl)OC)SC 62a_100000023288_200000210301 [1,0,0,0,0,0|1,1,0]=3 156 B13R1.2200 COc1cc(c(cc1Cl)OC)SC 62a_200000210301_100000023288 [1,0,0,0,0,0|1,1,0]=3 157 B13R1.2200 COc1cc(c(cc1Cl)OC)S[13CH3] 62a_100000023288_200025704644 [1,0,0,0,0,0|1,1,0]=3 158 B13R1.2200 COc1cc(c(cc1Cl)OC)S[13CH3] 62a_200025704644_100000023288 [1,0,0,0,0,0|1,1,0]=3 159 B13R1.2200 COc1cc(c(cc1F)N[13CH3])OC 2230a_100000762594_200025704644 [1,0,0,0,0,0|2,1,0]=4 160 B13R1.2200 COc1cc(c(cc1F)N[13CH3])OC 34a_100000762594_200025704644 [1,0,0,0,0,0|2,1,0]=4 161 B13R1.2200 COc1cc(c(cc1F)SC)OC 62a_100010141368_200000210301 [1,0,0,0,0,0|1,2,0]=4 162 B13R1.2200 COc1cc(c(cc1F)SC)OC 62a_200000210301_100010141368 [1,0,0,0,0,0|1,2,0]=4 163 B13R1.2200 COc1cc(c(cc1F)S[13CH3])OC 62a_100010141368_200025704644 [1,0,0,0,0,0|1,2,0]=4 164 B13R1.2200 COc1cc(c(cc1F)S[13CH3])OC 62a_200025704644_100010141368 [1,0,0,0,0,0|1,2,0]=4 165 B13R1.2200 COc1cc(c(cc1O)OC)C=O 271570a_203496583355_100000188581 [1,0,0,0,0,0|2,0,1]=4 166 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [1,0,0,0,0,0|2,0,0]=3 167 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])C 34a_100000183460_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])F 34a_100000753170_200025704644 [1,0,0,0,0,0|2,1,0]=4 169 B13R1.2200 COc1cc(c(cc1OC)SC)F 62a_200011765842_200000210301 [1,0,0,0,0,0|1,2,0]=4 170 B13R1.2200 COc1cc(c(cc1OC)S[13CH3])F 62a_200011765842_200025704644 [1,0,0,0,0,0|1,2,0]=4 171 B13R1.2200 COc1nc(c(cc1Br)SC)OC 62a_100025726379_200000210301 [1,0,0,0,0,0|2,1,0]=4 172 B13R1.2200 COc1nc(c(cc1Br)SC)OC 62a_200000210301_100025726379 [1,0,0,0,0,0|2,1,0]=4 173 B13R1.2200 COc1nc(c(cc1Br)S[13CH3])OC 62a_100025726379_200025704644 [1,0,0,0,0,0|2,1,0]=4 174 B13R1.2200 COc1nc(c(cc1Br)S[13CH3])OC 62a_200025704644_100025726379 [1,0,0,0,0,0|2,1,0]=4 175 B13R1.2899 CCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000210202 [1,0,0,0,0,0|2,0,0]=3 176 B13R1.2899 CCNc1cc(c(cc1OC)Br)C 34a_100010141321_100000210202 [1,0,0,0,0,0|2,0,0]=3 177 B13R1.2899 CCNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_100000210202 [1,0,0,0,0,0|3,0,0]=4 178 B13R1.2899 CCNc1cc(c(cc1OC)Br)Cl 34a_100010212225_100000210202 [1,0,0,0,0,0|3,0,0]=4 179 B13R1.2899 CCNc1cc(c(cc1OC)Br)F 2230a_100012766639_100000210202 [1,0,0,0,0,0|3,0,0]=4 180 B13R1.2899 CCNc1cc(c(cc1OC)Br)F 34a_100012766639_100000210202 [1,0,0,0,0,0|3,0,0]=4 181 B13R1.2899 CCNc1cc(c(cc1OC)Cl)C 2230a_100000211396_100000210202 [1,0,0,0,0,0|2,1,0]=4 182 B13R1.2899 CCNc1cc(c(cc1OC)Cl)C 34a_100000211396_100000210202 [1,0,0,0,0,0|2,1,0]=4 183 B13R1.2899 CCOc1cc(c(cc1OC)Br)F 34a_100010189133_100000210202 [1,0,0,0,0,0|3,0,0]=4 184 B13R1.2899 CCOc1cc(c(cc1OC)Br)F 7a_100010189133_100000210202 [1,0,0,0,0,0|3,0,0]=4 185 B13R1.2899 CCSc1cc(c(cc1OC)F)C 62a_100000210202_100010201977 [1,0,0,0,0,0|2,1,0]=4 186 B13R1.2899 CCSc1cc(c(cc1OC)F)C 62a_100010201977_100000210202 [1,0,0,0,0,0|2,1,0]=4 187 B13R1.2899 CCSc1cc(c(cc1OC)N)C 62a_100000210202_100010232211 [1,0,0,0,0,0|3,0,0]=4 188 B13R1.2899 CCSc1cc(c(cc1OC)N)C 62a_100010232211_100000210202 [1,0,0,0,0,0|3,0,0]=4 189 B13R1.2899 CNCc1cc(c(cc1OC)Br)F 26a_100102657272_100010189133 [1,0,0,0,0,0|3,0,0]=4 190 B13R1.2899 COc1cc(c(cc1NCF)C)Br 34a_100010141321_100015361967 [1,0,0,0,0,0|2,0,0]=3 191 B13R1.2899 COc1cc(c(cc1NCF)C)Cl 34a_100000211396_100015361967 [1,0,0,0,0,0|2,1,0]=4 192 B13R1.2899 COc1cc(c(cc1NCF)Cl)Br 34a_100010212225_100015361967 [1,0,0,0,0,0|3,0,0]=4 193 B13R1.2899 COc1cc(c(cc1NCF)F)Br 34a_100012766639_100015361967 [1,0,0,0,0,0|3,0,0]=4 194 B13R1.2899 COc1cc(c(cc1OCF)F)Br 34a_100010189133_100015361967 [1,0,0,0,0,0|3,0,0]=4 195 B13R1.2899 COc1cc(c(cc1OCF)F)Br 7a_100010189133_100015361967 [1,0,0,0,0,0|3,0,0]=4 196 B13R1.2899 COc1cc(c(cc1SCF)C)F 62a_100010201977_100015361967 [1,0,0,0,0,0|2,1,0]=4 197 B13R1.2899 COc1cc(c(cc1SCF)C)F 62a_100015361967_100010201977 [1,0,0,0,0,0|2,1,0]=4 198 B13R1.2899 COc1cc(c(cc1SCF)C)N 62a_100010232211_100015361967 [1,0,0,0,0,0|3,0,0]=4 199 B13R1.2899 COc1cc(c(cc1SCF)C)N 62a_100015361967_100010232211 [1,0,0,0,0,0|3,0,0]=4 200 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 34a_100000718616_100000210202 [1,0,0,0,0,0|3,0,0]=4 201 B13R1.2900 CCNc1cc(c(cc1Br)Br)OC 7a_100000718616_100000210202 [1,0,0,0,0,0|3,0,0]=4 202 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100000210202 [1,0,0,0,0,0|2,0,0]=3 203 B13R1.2900 CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100000210202 [1,0,0,0,0,0|2,0,0]=3 204 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 2230a_100009858536_100000210202 [1,0,0,0,0,0|2,1,0]=4 205 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 34a_100009858536_100000210202 [1,0,0,0,0,0|2,1,0]=4 206 B13R1.2900 CCNc1cc(c(cc1C)Cl)OC 7a_100009858536_100000210202 [1,0,0,0,0,0|2,1,0]=4 207 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 34a_100012361290_100000210202 [1,0,0,0,0,0|3,0,0]=4 208 B13R1.2900 CCNc1cc(c(cc1Cl)Br)OC 7a_100012361290_100000210202 [1,0,0,0,0,0|3,0,0]=4 209 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_100000210202_200014006352 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.2900 CCSc1cc(c(cc1Br)Br)OC 62a_200014006352_100000210202 [1,0,0,0,0,0|3,0,0]=4 211 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100000210202_100011009880 [1,0,0,0,0,0|2,1,0]=4 212 B13R1.2900 CCSc1cc(c(cc1C)F)OC 62a_100011009880_100000210202 [1,0,0,0,0,0|2,1,0]=4 213 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100000210202_100010141321 [1,0,0,0,0,0|3,0,0]=4 214 B13R1.2900 CCSc1cc(c(cc1C)N)OC 62a_100010141321_100000210202 [1,0,0,0,0,0|3,0,0]=4 215 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 207a_100102657272_100010996155 [1,0,0,0,0,0|3,0,0]=4 216 B13R1.2900 CNCc1cc(c(cc1Br)Br)OC 270004a_106832991635_100010996155 [1,0,0,0,0,0|3,0,0]=4 217 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 207a_100102657272_100000695681 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.2900 CNCc1cc(c(cc1F)Br)OC 270004a_106832991635_100000695681 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.2900 COc1cc(c(cc1Br)Br)NCF 34a_100000718616_100015361967 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.2900 COc1cc(c(cc1Br)Br)NCF 7a_100000718616_100015361967 [1,0,0,0,0,0|3,0,0]=4 221 B13R1.2900 COc1cc(c(cc1Br)Br)SCF 62a_100015361967_200014006352 [1,0,0,0,0,0|3,0,0]=4 222 B13R1.2900 COc1cc(c(cc1Br)Br)SCF 62a_200014006352_100015361967 [1,0,0,0,0,0|3,0,0]=4 223 B13R1.2900 COc1cc(c(cc1Br)C)NCF 34a_100010232211_100015361967 [1,0,0,0,0,0|2,0,0]=3 224 B13R1.2900 COc1cc(c(cc1Br)C)NCF 7a_100010232211_100015361967 [1,0,0,0,0,0|2,0,0]=3 225 B13R1.2900 COc1cc(c(cc1Br)Cl)NCF 34a_100012361290_100015361967 [1,0,0,0,0,0|3,0,0]=4 226 B13R1.2900 COc1cc(c(cc1Br)Cl)NCF 7a_100012361290_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B13R1.2900 COc1cc(c(cc1Cl)C)NCF 34a_100009858536_100015361967 [1,0,0,0,0,0|2,1,0]=4 228 B13R1.2900 COc1cc(c(cc1Cl)C)NCF 7a_100009858536_100015361967 [1,0,0,0,0,0|2,1,0]=4 229 B13R1.2900 COc1cc(c(cc1F)C)SCF 62a_100011009880_100015361967 [1,0,0,0,0,0|2,1,0]=4 230 B13R1.2900 COc1cc(c(cc1F)C)SCF 62a_100015361967_100011009880 [1,0,0,0,0,0|2,1,0]=4 231 B13R1.2900 COc1cc(c(cc1N)C)SCF 62a_100010141321_100015361967 [1,0,0,0,0,0|3,0,0]=4 232 B13R1.2900 COc1cc(c(cc1N)C)SCF 62a_100015361967_100010141321 [1,0,0,0,0,0|3,0,0]=4 233 B15R1.1788 COc1cc(c(cc1Br)OC)C=C(C)C 271570a_100102525489_100013799044 [0,1,0,0,0,0|1,0,2]=4 234 B15R1.1788 COc1cc(c(cc1Br)OC)CN(C)C 270004a_100102631434_100000188581 [0,1,0,0,0,0|2,0,0]=3 235 B15R1.1788 COc1cc(c(cc1Br)OC)OC(C)C 34a_100009816818_100000210206 [0,1,0,0,0,0|2,0,0]=3 236 B15R1.1788 COc1cc(c(cc1Br)OC)OC(C)C 7a_100009816818_100000210206 [0,1,0,0,0,0|2,0,0]=3 237 B15R1.1788 COc1cc(c(cc1Br)OC)SC(C)C 62a_100000210206_100013799044 [0,1,0,0,0,0|2,0,0]=3 238 B15R1.1788 COc1cc(c(cc1Br)OC)SC(C)C 62a_100013799044_100000210206 [0,1,0,0,0,0|2,0,0]=3 239 B15R1.1788 COc1cc(c(cc1C)OC)CN(C)C 270004a_100102631434_100000079178 [0,1,0,0,0,0|3,0,0]=4 240 B15R1.1788 COc1cc(c(cc1C)OC)SC(C)C 62a_100000039368_100000210206 [0,1,0,0,0,0|3,0,0]=4 241 B15R1.1788 COc1cc(c(cc1C)OC)SC(C)C 62a_100000210206_100000039368 [0,1,0,0,0,0|3,0,0]=4 242 B15R1.1788 COc1cc(c(cc1Cl)OC)CN(C)C 270004a_100102631434_100010168916 [0,1,0,0,0,0|2,1,0]=4 243 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(C)C 2230a_100000179761_100000210206 [0,1,0,0,0,0|2,1,0]=4 244 B15R1.1788 COc1cc(c(cc1Cl)OC)NC(C)C 34a_100000179761_100000210206 [0,1,0,0,0,0|2,1,0]=4 245 B15R1.1788 COc1cc(c(cc1Cl)OC)SC(C)C 62a_100000023288_100000210206 [0,1,0,0,0,0|2,1,0]=4 246 B15R1.1788 COc1cc(c(cc1Cl)OC)SC(C)C 62a_100000210206_100000023288 [0,1,0,0,0,0|2,1,0]=4 247 B15R1.1788 COc1cc(c(cc1I)OC)CN(C)C 270004a_100102631434_200010262236 [0,1,0,0,0,0|2,1,0]=4 248 B15R1.1791 CNC(C)c1cc(c(cc1OC)Br)OC 269862a_106832991636_100012352748 [0,1,0,0,0,0|2,0,0]=3 249 B15R1.27348 CCOc1cc(c(cc1C(=O)C)Br)OC 7a_100009813116_100000210202 [0,1,0,0,0,0|3,0,0]=4 250 B15R1.27348 CNCc1cc(c(cc1C(=O)C)Br)OC 26a_100102657272_100009813116 [0,1,0,0,0,0|3,0,0]=4 251 B15R1.27348 COc1cc(c(cc1Br)C(=O)C)OCF 7a_100009813116_100015361967 [0,1,0,0,0,0|3,0,0]=4 252 B15R1.27356 C=Cc1cc(c(cc1CCN)OC)OC 271570a_100011290941_200000215632 [0,1,0,0,0,0|2,0,1]=4 253 B15R1.27356 CCSc1cc(c(cc1OC)C=O)OC 62a_100000188581_100000210202 [0,1,0,0,0,0|3,0,0]=4 254 B15R1.27356 CCc1cc(c(cc1OC)CNC)OC 207a_100102657272_200000092834 [0,1,0,0,0,0|3,0,0]=4 255 B15R1.27356 CCc1cc(c(cc1OC)CNC)OC 270004a_106832991635_200000092834 [0,1,0,0,0,0|3,0,0]=4 256 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 207a_100102657272_100000210981 [0,1,0,0,0,0|3,0,0]=4 257 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 270004a_106832991635_100000210981 [0,1,0,0,0,0|3,0,0]=4 258 B15R1.27356 CNCc1cc(c(cc1OC)OC)OC 34a_100000749821_200000210301 [0,1,0,0,0,0|3,0,0]=4 259 B15R1.27356 COCc1cc(c(cc1OC)OC)OC 34a_100000199048_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B15R1.27356 COc1cc(c(cc1C=O)OC)SCF 62a_100000188581_100015361967 [0,1,0,0,0,0|3,0,0]=4 261 B15R1.27356 COc1cc(c(cc1CN[13CH3])OC)OC 34a_100000749821_200025704644 [0,1,0,0,0,0|3,0,0]=4 262 B15R1.27356 COc1cc(c(cc1CO[13CH3])OC)OC 34a_100000199048_200025704644 [0,1,0,0,0,0|3,0,0]=4 263 B15R1.27356 COc1cc(c(cc1OC)SC)CCN 62a_200000210301_200000215632 [0,1,0,0,0,0|1,1,0]=3 264 B15R1.27356 COc1cc(c(cc1OC)SC)CCN 62a_200000215632_200000210301 [0,1,0,0,0,0|1,1,0]=3 265 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CCN 62a_200000215632_200025704644 [0,1,0,0,0,0|1,1,0]=3 266 B15R1.27356 COc1cc(c(cc1OC)S[13CH3])CCN 62a_200025704644_200000215632 [0,1,0,0,0,0|1,1,0]=3 267 B15R1.38243 C#CCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000038162 [0,1,0,0,0,0|1,1,1]=4 268 B15R1.38243 C#CCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000184674 [0,1,0,0,0,0|1,1,1]=4 269 B15R1.38243 C#CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000184674 [0,1,0,0,0,0|1,0,1]=3 270 B15R1.38243 C#CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000038162 [0,1,0,0,0,0|1,0,1]=3 271 B15R1.38243 C#CCSc1cc(c(cc1OC)Br)OC 62a_100000038162_100013799044 [0,1,0,0,0,0|1,0,1]=3 272 B15R1.38243 C#CCSc1cc(c(cc1OC)C)OC 62a_100000038162_100000039368 [0,1,0,0,0,0|2,0,1]=4 273 B15R1.38243 C#CCSc1cc(c(cc1OC)Cl)OC 62a_100000038162_100000023288 [0,1,0,0,0,0|1,1,1]=4 274 B15R1.38243 C=CCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210623 [0,1,0,0,0,0|1,1,1]=4 275 B15R1.38243 C=CCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100015514636 [0,1,0,0,0,0|1,1,1]=4 276 B15R1.38243 C=CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100015514636 [0,1,0,0,0,0|1,0,1]=3 277 B15R1.38243 C=CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100015514636 [0,1,0,0,0,0|1,0,1]=3 278 B15R1.38243 C=CCSc1cc(c(cc1OC)Br)OC 62a_100000210623_100013799044 [0,1,0,0,0,0|1,0,1]=3 279 B15R1.38243 C=CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210623 [0,1,0,0,0,0|1,0,1]=3 280 B15R1.38243 C=CCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210623 [0,1,0,0,0,0|2,0,1]=4 281 B15R1.38243 C=CCSc1cc(c(cc1OC)C)OC 62a_100000210623_100000039368 [0,1,0,0,0,0|2,0,1]=4 282 B15R1.38243 C=CCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210623 [0,1,0,0,0,0|1,1,1]=4 283 B15R1.38243 C=CCSc1cc(c(cc1OC)Cl)OC 62a_100000210623_100000023288 [0,1,0,0,0,0|1,1,1]=4 284 B15R1.38243 CCCCc1cc(c(cc1OC)Br)OC 271570a_100020621405_100013799044 [0,1,0,0,0,0|1,0,0]=2 285 B15R1.38243 CCCCc1cc(c(cc1OC)C)OC 271570a_100020621405_100000039368 [0,1,0,0,0,0|2,0,0]=3 286 B15R1.38243 CCCCc1cc(c(cc1OC)Cl)OC 271570a_100020621405_100000023288 [0,1,0,0,0,0|1,1,0]=3 287 B15R1.38243 CCCCc1cc(c(cc1OC)O)OC 271570a_100020621405_100009816818 [0,1,0,0,0,0|2,0,0]=3 288 B15R1.38243 CCCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210303 [0,1,0,0,0,0|1,1,0]=3 289 B15R1.38243 CCCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210303 [0,1,0,0,0,0|1,1,0]=3 290 B15R1.38243 CCCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210303 [0,1,0,0,0,0|1,0,0]=2 291 B15R1.38243 CCCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210303 [0,1,0,0,0,0|1,0,0]=2 292 B15R1.38243 CCCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210303 [0,1,0,0,0,0|3,0,0]=4 293 B15R1.38243 CCCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210303 [0,1,0,0,0,0|3,0,0]=4 294 B15R1.38243 CCCSc1cc(c(cc1OC)Br)OC 62a_100000210303_100013799044 [0,1,0,0,0,0|1,0,0]=2 295 B15R1.38243 CCCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210303 [0,1,0,0,0,0|1,0,0]=2 296 B15R1.38243 CCCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210303 [0,1,0,0,0,0|2,0,0]=3 297 B15R1.38243 CCCSc1cc(c(cc1OC)C)OC 62a_100000210303_100000039368 [0,1,0,0,0,0|2,0,0]=3 298 B15R1.38243 CCCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210303 [0,1,0,0,0,0|1,1,0]=3 299 B15R1.38243 CCCSc1cc(c(cc1OC)Cl)OC 62a_100000210303_100000023288 [0,1,0,0,0,0|1,1,0]=3 300 B15R1.38243 CCNCc1cc(c(cc1OC)Br)OC 207a_100015525214_100000188581 [0,1,0,0,0,0|1,0,0]=2 301 B15R1.38243 CCNCc1cc(c(cc1OC)Br)OC 270004a_100015525214_100000188581 [0,1,0,0,0,0|1,0,0]=2 302 B15R1.38243 CCNCc1cc(c(cc1OC)C)OC 207a_100015525214_100000079178 [0,1,0,0,0,0|2,0,0]=3 303 B15R1.38243 CCNCc1cc(c(cc1OC)C)OC 270004a_100015525214_100000079178 [0,1,0,0,0,0|2,0,0]=3 304 B15R1.38243 CCNCc1cc(c(cc1OC)Cl)OC 207a_100015525214_100010168916 [0,1,0,0,0,0|1,1,0]=3 305 B15R1.38243 CCNCc1cc(c(cc1OC)Cl)OC 270004a_100015525214_100010168916 [0,1,0,0,0,0|1,1,0]=3 306 B15R1.38243 CCNCc1cc(c(cc1OC)I)OC 207a_100015525214_200010262236 [0,1,0,0,0,0|1,1,0]=3 307 B15R1.38243 CCNCc1cc(c(cc1OC)I)OC 270004a_100015525214_200010262236 [0,1,0,0,0,0|1,1,0]=3 308 B15R1.38243 CCOCc1cc(c(cc1OC)C)OC 34a_200010309539_100000210202 [0,1,0,0,0,0|2,0,0]=3 309 B15R1.38243 CCOCc1cc(c(cc1OC)C)OC 7a_200010309539_100000210202 [0,1,0,0,0,0|2,0,0]=3 310 B15R1.38243 CCc1cc(c(cc1C)OC)OCCF 34a_200010661296_100011217306 [0,1,0,0,0,0|3,0,0]=4 311 B15R1.38243 CCc1cc(c(cc1C)OC)OCCF 7a_200010661296_100011217306 [0,1,0,0,0,0|3,0,0]=4 312 B15R1.38243 CCc1cc(c(cc1C)OC)OCCO 34a_200010661296_100000211926 [0,1,0,0,0,0|3,0,0]=4 313 B15R1.38243 CCc1cc(c(cc1C)OC)OCCO 7a_200010661296_100000211926 [0,1,0,0,0,0|3,0,0]=4 314 B15R1.38243 COCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000766300 [0,1,0,0,0,0|2,1,0]=4 315 B15R1.38243 COCSc1cc(c(cc1OC)Br)OC 62a_100000766300_100013799044 [0,1,0,0,0,0|2,0,0]=3 316 B15R1.38243 COCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000766300 [0,1,0,0,0,0|2,0,0]=3 317 B15R1.38243 COCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000766300 [0,1,0,0,0,0|3,0,0]=4 318 B15R1.38243 COCSc1cc(c(cc1OC)C)OC 62a_100000766300_100000039368 [0,1,0,0,0,0|3,0,0]=4 319 B15R1.38243 COCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000766300 [0,1,0,0,0,0|2,1,0]=4 320 B15R1.38243 COCSc1cc(c(cc1OC)Cl)OC 62a_100000766300_100000023288 [0,1,0,0,0,0|2,1,0]=4 321 B15R1.38243 COc1cc(c(cc1Br)OC)OCC#N 7a_100009816818_100011215382 [0,1,0,0,0,0|0,0,2]=3 322 B15R1.38243 COc1cc(c(cc1Br)OC)OCC=O 34a_100009816818_200009817547 [0,1,0,0,0,0|1,0,1]=3 323 B15R1.38243 COc1cc(c(cc1Br)OC)OCC=O 7a_100009816818_200015260668 [0,1,0,0,0,0|1,0,1]=3 324 B15R1.38243 COc1cc(c(cc1Br)OC)OCCF 34a_100009816818_100011217306 [0,1,0,0,0,0|1,0,0]=2 325 B15R1.38243 COc1cc(c(cc1Br)OC)OCCF 7a_100009816818_100011217306 [0,1,0,0,0,0|1,0,0]=2 326 B15R1.38243 COc1cc(c(cc1Br)OC)OCCO 34a_100009816818_100000211926 [0,1,0,0,0,0|1,0,0]=2 327 B15R1.38243 COc1cc(c(cc1Br)OC)OCCO 7a_100009816818_100000211926 [0,1,0,0,0,0|1,0,0]=2 328 B15R1.38243 COc1cc(c(cc1Br)OC)OCSC 34a_100009816818_100011218213 [0,1,0,0,0,0|2,0,0]=3 329 B15R1.38243 COc1cc(c(cc1Br)OC)SCC#N 62a_100011215382_100013799044 [0,1,0,0,0,0|0,0,2]=3 330 B15R1.38243 COc1cc(c(cc1Br)OC)SCC#N 62a_100013799044_100011215382 [0,1,0,0,0,0|0,0,2]=3 331 B15R1.38243 COc1cc(c(cc1Br)OC)SCC=O 62a_100013799044_200015260668 [0,1,0,0,0,0|1,0,1]=3 332 B15R1.38243 COc1cc(c(cc1Br)OC)SCC=O 62a_200015260668_100013799044 [0,1,0,0,0,0|1,0,1]=3 333 B15R1.38243 COc1cc(c(cc1Br)OC)SCCF 62a_100011217306_100013799044 [0,1,0,0,0,0|1,0,0]=2 334 B15R1.38243 COc1cc(c(cc1Br)OC)SCCF 62a_100013799044_100011217306 [0,1,0,0,0,0|1,0,0]=2 335 B15R1.38243 COc1cc(c(cc1Br)OC)SCCO 62a_100000211926_100013799044 [0,1,0,0,0,0|1,0,0]=2 336 B15R1.38243 COc1cc(c(cc1Br)OC)SCCO 62a_100013799044_100000211926 [0,1,0,0,0,0|1,0,0]=2 337 B15R1.38243 COc1cc(c(cc1Br)OC)SCSC 62a_100011218213_100013799044 [0,1,0,0,0,0|2,0,0]=3 338 B15R1.38243 COc1cc(c(cc1Br)OC)SCSC 62a_100013799044_100011218213 [0,1,0,0,0,0|2,0,0]=3 339 B15R1.38243 COc1cc(c(cc1C)OC)COCF 34a_200010309539_100015361967 [0,1,0,0,0,0|2,0,0]=3 340 B15R1.38243 COc1cc(c(cc1C)OC)COCF 7a_200010309539_100015361967 [0,1,0,0,0,0|2,0,0]=3 341 B15R1.38243 COc1cc(c(cc1C)OC)SCC#N 62a_100000039368_100011215382 [0,1,0,0,0,0|1,0,2]=4 342 B15R1.38243 COc1cc(c(cc1C)OC)SCC#N 62a_100011215382_100000039368 [0,1,0,0,0,0|1,0,2]=4 343 B15R1.38243 COc1cc(c(cc1C)OC)SCC=O 62a_100000039368_200015260668 [0,1,0,0,0,0|2,0,1]=4 344 B15R1.38243 COc1cc(c(cc1C)OC)SCC=O 62a_200015260668_100000039368 [0,1,0,0,0,0|2,0,1]=4 345 B15R1.38243 COc1cc(c(cc1C)OC)SCCF 62a_100000039368_100011217306 [0,1,0,0,0,0|2,0,0]=3 346 B15R1.38243 COc1cc(c(cc1C)OC)SCCF 62a_100011217306_100000039368 [0,1,0,0,0,0|2,0,0]=3 347 B15R1.38243 COc1cc(c(cc1C)OC)SCCO 62a_100000039368_100000211926 [0,1,0,0,0,0|2,0,0]=3 348 B15R1.38243 COc1cc(c(cc1C)OC)SCCO 62a_100000211926_100000039368 [0,1,0,0,0,0|2,0,0]=3 349 B15R1.38243 COc1cc(c(cc1C)OC)SCSC 62a_100000039368_100011218213 [0,1,0,0,0,0|3,0,0]=4 350 B15R1.38243 COc1cc(c(cc1C)OC)SCSC 62a_100011218213_100000039368 [0,1,0,0,0,0|3,0,0]=4 351 B15R1.38243 COc1cc(c(cc1Cl)OC)NCC#N 2230a_100000179761_100011215382 [0,1,0,0,0,0|0,1,2]=4 352 B15R1.38243 COc1cc(c(cc1Cl)OC)NCC=O 2230a_100000179761_200015260668 [0,1,0,0,0,0|1,1,1]=4 353 B15R1.38243 COc1cc(c(cc1Cl)OC)NCC=O 34a_100000179761_200009817547 [0,1,0,0,0,0|1,1,1]=4 354 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCF 2230a_100000179761_100011217306 [0,1,0,0,0,0|1,1,0]=3 355 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCF 34a_100000179761_100011217306 [0,1,0,0,0,0|1,1,0]=3 356 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCO 2230a_100000179761_100000211926 [0,1,0,0,0,0|1,1,0]=3 357 B15R1.38243 COc1cc(c(cc1Cl)OC)NCCO 34a_100000179761_100000211926 [0,1,0,0,0,0|1,1,0]=3 358 B15R1.38243 COc1cc(c(cc1Cl)OC)NCSC 2230a_100000179761_100011218213 [0,1,0,0,0,0|2,1,0]=4 359 B15R1.38243 COc1cc(c(cc1Cl)OC)NCSC 34a_100000179761_100011218213 [0,1,0,0,0,0|2,1,0]=4 360 B15R1.38243 COc1cc(c(cc1Cl)OC)SCC#N 62a_100000023288_100011215382 [0,1,0,0,0,0|0,1,2]=4 361 B15R1.38243 COc1cc(c(cc1Cl)OC)SCC#N 62a_100011215382_100000023288 [0,1,0,0,0,0|0,1,2]=4 362 B15R1.38243 COc1cc(c(cc1Cl)OC)SCC=O 62a_100000023288_200015260668 [0,1,0,0,0,0|1,1,1]=4 363 B15R1.38243 COc1cc(c(cc1Cl)OC)SCC=O 62a_200015260668_100000023288 [0,1,0,0,0,0|1,1,1]=4 364 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCF 62a_100000023288_100011217306 [0,1,0,0,0,0|1,1,0]=3 365 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCF 62a_100011217306_100000023288 [0,1,0,0,0,0|1,1,0]=3 366 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCO 62a_100000023288_100000211926 [0,1,0,0,0,0|1,1,0]=3 367 B15R1.38243 COc1cc(c(cc1Cl)OC)SCCO 62a_100000211926_100000023288 [0,1,0,0,0,0|1,1,0]=3 368 B15R1.38243 COc1cc(c(cc1Cl)OC)SCSC 62a_100000023288_100011218213 [0,1,0,0,0,0|2,1,0]=4 369 B15R1.38243 COc1cc(c(cc1Cl)OC)SCSC 62a_100011218213_100000023288 [0,1,0,0,0,0|2,1,0]=4 370 B15R2.2215 CCNc1cc2c(cc1OC)OCO2 2230a_200000088178_100000210202 [0,0,0,1,0,0|3,0,0]=4 371 B15R2.2215 CCNc1cc2c(cc1OC)OCO2 34a_200000088178_100000210202 [0,0,0,1,0,0|3,0,0]=4 372 B15R2.2215 CNCc1cc2c(cc1OC)OCO2 207a_100102657272_100000186743 [0,0,0,1,0,0|3,0,0]=4 373 B15R2.2215 CNCc1cc2c(cc1OC)OCO2 270004a_106832991635_100000186743 [0,0,0,1,0,0|3,0,0]=4 374 B15R2.2215 COc1cc2c(cc1NCF)OCO2 34a_200000088178_100015361967 [0,0,0,1,0,0|3,0,0]=4 375 B15R2.2703 COc1cc(c(cc1Br)OC)C2CC2 271570a_100011220607_100013799044 [0,0,0,1,0,0|1,0,0]=2 376 B15R2.2703 COc1cc(c(cc1C)OC)C2CC2 271570a_100011220607_100000039368 [0,0,0,1,0,0|2,0,0]=3 377 B15R2.2703 COc1cc(c(cc1Cl)OC)C2CC2 271570a_100011220607_100000023288 [0,0,0,1,0,0|1,1,0]=3 378 B15R2.2703 COc1cc(c(cc1O)OC)C2CC2 271570a_100011220607_100009816818 [0,0,0,1,0,0|2,0,0]=3 379 B15R2.91518 CNC1CCc2c1cc(c(c2)Br)OC 269862a_106832991636_100010233615 [0,0,0,1,0,0|3,0,0]=4 380 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [2,0,0,0,0,0|0,0,2]=4 381 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [2,0,0,0,0,0|1,0,1]=4 382 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [2,0,0,0,0,0|1,0,1]=4 383 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [2,0,0,0,0,0|1,0,1]=4 384 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [2,0,0,0,0,0|1,0,1]=4 385 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [2,0,0,0,0,0|0,1,0]=3 386 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [2,0,0,0,0,0|0,1,0]=3 387 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [2,0,0,0,0,0|0,1,0]=3 388 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [2,0,0,0,0,0|0,1,0]=3 389 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [2,0,0,0,0,0|0,1,0]=3 390 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [2,0,0,0,0,0|0,1,0]=3 391 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [2,0,0,0,0,0|0,1,0]=3 392 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [2,0,0,0,0,0|0,1,0]=3 393 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [2,0,0,0,0,0|2,0,0]=4 394 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [2,0,0,0,0,0|2,0,0]=4 395 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [2,0,0,0,0,0|2,0,0]=4 396 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [2,0,0,0,0,0|2,0,0]=4 397 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [2,0,0,0,0,0|2,0,0]=4 398 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [2,0,0,0,0,0|2,0,0]=4 399 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [2,0,0,0,0,0|2,0,0]=4 400 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [2,0,0,0,0,0|2,0,0]=4 401 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [2,0,0,0,0,0|2,0,0]=4 402 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [2,0,0,0,0,0|2,0,0]=4 403 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [2,0,0,0,0,0|2,0,0]=4 404 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [2,0,0,0,0,0|2,0,0]=4 405 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [2,0,0,0,0,0|2,0,0]=4 406 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [2,0,0,0,0,0|2,0,0]=4 407 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [2,0,0,0,0,0|2,0,0]=4 408 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [2,0,0,0,0,0|2,0,0]=4 409 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [2,0,0,0,0,0|1,0,0]=3 410 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [2,0,0,0,0,0|1,0,0]=3 411 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [2,0,0,0,0,0|2,0,0]=4 412 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [2,0,0,0,0,0|2,0,0]=4 413 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [2,0,0,0,0,0|2,0,0]=4 414 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [2,0,0,0,0,0|2,0,0]=4 415 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [2,0,0,0,0,0|2,0,0]=4 416 B12R1.78 CNc1ccc(cc1CO)OC 34a_100012001277_200000210301 [2,0,0,0,0,0|2,0,0]=4 417 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [2,0,0,0,0,0|2,0,0]=4 419 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [2,0,0,0,0,0|0,0,2]=4 420 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [2,0,0,0,0,0|0,0,2]=4 421 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [2,0,0,0,0,0|0,0,2]=4 422 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [2,0,0,0,0,0|0,0,2]=4 423 B12R1.78 COc1ccc(c(c1)CN)SC 62a_100000741592_200000210301 [2,0,0,0,0,0|0,1,0]=3 424 B12R1.78 COc1ccc(c(c1)CN)SC 62a_200000210301_100000741592 [2,0,0,0,0,0|0,1,0]=3 425 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_100000741592_200025704644 [2,0,0,0,0,0|0,1,0]=3 426 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_200025704644_100000741592 [2,0,0,0,0,0|0,1,0]=3 427 B12R1.78 COc1ccc(c(c1)CO)N[13CH3] 34a_100012001277_200025704644 [2,0,0,0,0,0|2,0,0]=4 428 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200000210301_200011273942 [2,0,0,0,0,0|1,1,0]=4 429 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200011273942_200000210301 [2,0,0,0,0,0|1,1,0]=4 430 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200011273942_200025704644 [2,0,0,0,0,0|1,1,0]=4 431 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_200011273942 [2,0,0,0,0,0|1,1,0]=4 432 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [2,0,0,0,0,0|1,0,0]=3 433 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [2,0,0,0,0,0|1,0,0]=3 434 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [2,0,0,0,0,0|2,0,0]=4 435 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [2,0,0,0,0,0|2,0,0]=4 436 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [2,0,0,0,0,0|1,0,0]=3 437 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [2,0,0,0,0,0|1,0,0]=3 438 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [2,0,0,0,0,0|1,0,0]=3 439 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [2,0,0,0,0,0|1,0,0]=3 440 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [2,0,0,0,0,0|1,1,0]=4 441 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [2,0,0,0,0,0|1,1,0]=4 442 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [2,0,0,0,0,0|1,1,0]=4 443 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [2,0,0,0,0,0|1,1,0]=4 444 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [2,0,0,0,0,0|1,0,0]=3 445 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [2,0,0,0,0,0|1,0,0]=3 446 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [2,0,0,0,0,0|1,0,0]=3 447 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [2,0,0,0,0,0|1,0,0]=3 448 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [2,0,0,0,0,0|1,0,0]=3 449 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [2,0,0,0,0,0|2,0,0]=4 450 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [2,0,0,0,0,0|2,0,0]=4 451 B12R1.78 COc1ccc(cc1CN)SC 62a_100000690498_200000210301 [2,0,0,0,0,0|0,1,0]=3 452 B12R1.78 COc1ccc(cc1CN)SC 62a_200000210301_100000690498 [2,0,0,0,0,0|0,1,0]=3 453 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_100000690498_200025704644 [2,0,0,0,0,0|0,1,0]=3 454 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_200025704644_100000690498 [2,0,0,0,0,0|0,1,0]=3 455 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [2,0,0,0,0,0|1,1,0]=4 456 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [2,0,0,0,0,0|1,1,0]=4 457 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [2,0,0,0,0,0|1,1,0]=4 458 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [2,0,0,0,0,0|1,1,0]=4 459 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [2,0,0,0,0,0|2,0,0]=4 460 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [2,0,0,0,0,0|1,0,0]=3 461 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [2,0,0,0,0,0|1,1,0]=4 462 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [2,0,0,0,0,0|1,1,0]=4 463 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [2,0,0,0,0,0|1,1,0]=4 464 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [2,0,0,0,0,0|1,1,0]=4 465 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [2,0,0,0,0,0|2,0,0]=4 466 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [2,0,0,0,0,0|2,0,0]=4 467 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [2,0,0,0,0,0|2,0,0]=4 468 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [2,0,0,0,0,0|2,0,0]=4 469 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [2,0,0,0,0,0|2,0,0]=4 470 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [2,0,0,0,0,0|2,0,0]=4 471 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [2,0,0,0,0,0|2,0,0]=4 472 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [2,0,0,0,0,0|2,0,0]=4 473 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [2,0,0,0,0,0|2,0,0]=4 474 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [2,0,0,0,0,0|2,0,0]=4 475 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [2,0,0,0,0,0|2,0,0]=4 476 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [2,0,0,0,0,0|2,0,0]=4 477 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [2,0,0,0,0,0|2,0,0]=4 478 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [2,0,0,0,0,0|2,0,0]=4 479 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [2,0,0,0,0,0|2,0,0]=4 480 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [2,0,0,0,0,0|2,0,0]=4 481 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [2,0,0,0,0,0|2,0,0]=4 482 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [2,0,0,0,0,0|2,0,0]=4 483 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [2,0,0,0,0,0|2,0,0]=4 484 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [2,0,0,0,0,0|2,0,0]=4 485 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [2,0,0,0,0,0|2,0,0]=4 486 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [2,0,0,0,0,0|2,0,0]=4 487 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [2,0,0,0,0,0|2,0,0]=4 488 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [2,0,0,0,0,0|2,0,0]=4 489 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [2,0,0,0,0,0|0,0,2]=4 490 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [2,0,0,0,0,0|0,0,0]=2 491 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [2,0,0,0,0,0|2,0,0]=4 492 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [2,0,0,0,0,0|2,0,0]=4 493 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [2,0,0,0,0,0|2,0,0]=4 494 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [2,0,0,0,0,0|2,0,0]=4 495 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [2,0,0,0,0,0|2,0,0]=4 496 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [2,0,0,0,0,0|2,0,0]=4 497 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [2,0,0,0,0,0|2,0,0]=4 498 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [2,0,0,0,0,0|2,0,0]=4 499 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [2,0,0,0,0,0|2,0,0]=4 500 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [2,0,0,0,0,0|2,0,0]=4 501 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [2,0,0,0,0,0|2,0,0]=4 502 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [2,0,0,0,0,0|2,0,0]=4 503 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [2,0,0,0,0,0|2,0,0]=4 504 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [2,0,0,0,0,0|2,0,0]=4 505 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [2,0,0,0,0,0|2,0,0]=4 506 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [2,0,0,0,0,0|2,0,0]=4 507 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [2,0,0,0,0,0|2,0,0]=4 508 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [2,0,0,0,0,0|2,0,0]=4 509 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [2,0,0,0,0,0|2,0,0]=4 510 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [2,0,0,0,0,0|2,0,0]=4 511 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [2,0,0,0,0,0|2,0,0]=4 512 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [2,0,0,0,0,0|2,0,0]=4 513 B12R1.270 CCSc1cc(ccc1C)OC 62a_100000210202_100012349166 [2,0,0,0,0,0|2,0,0]=4 514 B12R1.270 CCSc1cc(ccc1C)OC 62a_100012349166_100000210202 [2,0,0,0,0,0|2,0,0]=4 515 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [2,0,0,0,0,0|2,0,0]=4 516 B12R1.270 CNCc1cc(ccc1C)OC 207a_100102657272_100012017359 [2,0,0,0,0,0|2,0,0]=4 517 B12R1.270 CNCc1cc(ccc1C)OC 270004a_106832991635_100012017359 [2,0,0,0,0,0|2,0,0]=4 518 B12R1.270 CNCc1cc(ccc1C)OC 34a_100012180165_200000210301 [2,0,0,0,0,0|2,0,0]=4 519 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [2,0,0,0,0,0|2,0,0]=4 520 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [2,0,0,0,0,0|2,0,0]=4 521 B12R1.270 COc1ccc(c(c1)CC#N)O 271570a_203496583355_100012259381 [2,0,0,0,0,0|0,0,2]=4 522 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [2,0,0,0,0,0|1,0,0]=3 523 B12R1.270 COc1ccc(c(c1)CN[13CH3])C 34a_100012180165_200025704644 [2,0,0,0,0,0|2,0,0]=4 524 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [2,0,0,0,0,0|2,0,0]=4 525 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [2,0,0,0,0,0|2,0,0]=4 526 B12R1.270 COc1ccc(c(c1)NCF)C 34a_100000760359_100015361967 [2,0,0,0,0,0|2,0,0]=4 527 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [2,0,0,0,0,0|2,0,0]=4 528 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [2,0,0,0,0,0|2,0,0]=4 529 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [2,0,0,0,0,0|2,0,0]=4 530 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100012349166_100015361967 [2,0,0,0,0,0|2,0,0]=4 531 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100015361967_100012349166 [2,0,0,0,0,0|2,0,0]=4 532 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [2,0,0,0,0,0|2,0,0]=4 533 B12R1.448 CCc1cc(c(cc1SC)F)O 62a_100011156610_200000210301 [2,0,0,0,0,0|0,2,0]=4 534 B12R1.448 CCc1cc(c(cc1SC)F)O 62a_200000210301_100011156610 [2,0,0,0,0,0|0,2,0]=4 535 B12R1.448 CCc1cc(c(cc1S[13CH3])F)O 62a_100011156610_200025704644 [2,0,0,0,0,0|0,2,0]=4 536 B12R1.448 CCc1cc(c(cc1S[13CH3])F)O 62a_200025704644_100011156610 [2,0,0,0,0,0|0,2,0]=4 537 B12R1.448 CNc1cc(c(cc1OC)Br)C 2230a_100010141321_200000210301 [2,0,0,0,0,0|1,0,0]=3 538 B12R1.448 CNc1cc(c(cc1OC)Br)C 34a_100010141321_200000210301 [2,0,0,0,0,0|1,0,0]=3 539 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_200000210301 [2,0,0,0,0,0|2,0,0]=4 540 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 34a_100010212225_200000210301 [2,0,0,0,0,0|2,0,0]=4 541 B12R1.448 CNc1cc(c(cc1OC)Br)F 2230a_100012766639_200000210301 [2,0,0,0,0,0|2,0,0]=4 542 B12R1.448 CNc1cc(c(cc1OC)Br)F 34a_100012766639_200000210301 [2,0,0,0,0,0|2,0,0]=4 543 B12R1.448 CNc1cc(c(cc1OC)Cl)C 2230a_100000211396_200000210301 [2,0,0,0,0,0|1,1,0]=4 544 B12R1.448 CNc1cc(c(cc1OC)Cl)C 34a_100000211396_200000210301 [2,0,0,0,0,0|1,1,0]=4 545 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 2230a_100010141321_200025704644 [2,0,0,0,0,0|1,0,0]=3 546 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 34a_100010141321_200025704644 [2,0,0,0,0,0|1,0,0]=3 547 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 2230a_100000211396_200025704644 [2,0,0,0,0,0|1,1,0]=4 548 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 34a_100000211396_200025704644 [2,0,0,0,0,0|1,1,0]=4 549 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 2230a_100010212225_200025704644 [2,0,0,0,0,0|2,0,0]=4 550 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 34a_100010212225_200025704644 [2,0,0,0,0,0|2,0,0]=4 551 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 2230a_100012766639_200025704644 [2,0,0,0,0,0|2,0,0]=4 552 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 34a_100012766639_200025704644 [2,0,0,0,0,0|2,0,0]=4 553 B12R1.448 COc1cc(c(cc1OC)Br)F 34a_100010189133_200000210301 [2,0,0,0,0,0|2,0,0]=4 554 B12R1.448 COc1cc(c(cc1OC)Br)F 7a_100010189133_200000210301 [2,0,0,0,0,0|2,0,0]=4 555 B12R1.448 COc1cc(c(cc1OC)F)O 271570a_203496583355_200011765842 [2,0,0,0,0,0|1,1,0]=4 556 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 34a_100010189133_200025704644 [2,0,0,0,0,0|2,0,0]=4 557 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 7a_100010189133_200025704644 [2,0,0,0,0,0|2,0,0]=4 558 B12R1.448 COc1cc(c(cc1SC)C)F 62a_100010201977_200000210301 [2,0,0,0,0,0|1,1,0]=4 559 B12R1.448 COc1cc(c(cc1SC)C)F 62a_200000210301_100010201977 [2,0,0,0,0,0|1,1,0]=4 560 B12R1.448 COc1cc(c(cc1SC)C)N 62a_100010232211_200000210301 [2,0,0,0,0,0|2,0,0]=4 561 B12R1.448 COc1cc(c(cc1SC)C)N 62a_200000210301_100010232211 [2,0,0,0,0,0|2,0,0]=4 562 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_100010201977_200025704644 [2,0,0,0,0,0|1,1,0]=4 563 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_200025704644_100010201977 [2,0,0,0,0,0|1,1,0]=4 564 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_100010232211_200025704644 [2,0,0,0,0,0|2,0,0]=4 565 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_200025704644_100010232211 [2,0,0,0,0,0|2,0,0]=4 566 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [2,0,0,0,0,0|1,1,0]=4 567 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [2,0,0,0,0,0|1,1,0]=4 568 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [2,0,0,0,0,0|1,1,0]=4 569 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [2,0,0,0,0,0|1,1,0]=4 570 B12R1.449 CNc1cc(c(cc1Br)Br)OC 34a_100000718616_200000210301 [2,0,0,0,0,0|2,0,0]=4 571 B12R1.449 CNc1cc(c(cc1Br)Br)OC 7a_100000718616_200000210301 [2,0,0,0,0,0|2,0,0]=4 572 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [2,0,0,0,0,0|2,0,0]=4 573 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [2,0,0,0,0,0|2,0,0]=4 574 B12R1.449 CNc1cc(c(cc1C)Br)OC 34a_100010232211_200000210301 [2,0,0,0,0,0|1,0,0]=3 575 B12R1.449 CNc1cc(c(cc1C)Br)OC 7a_100010232211_200000210301 [2,0,0,0,0,0|1,0,0]=3 576 B12R1.449 CNc1cc(c(cc1C)Cl)OC 2230a_100009858536_200000210301 [2,0,0,0,0,0|1,1,0]=4 577 B12R1.449 CNc1cc(c(cc1C)Cl)OC 34a_100009858536_200000210301 [2,0,0,0,0,0|1,1,0]=4 578 B12R1.449 CNc1cc(c(cc1C)Cl)OC 7a_100009858536_200000210301 [2,0,0,0,0,0|1,1,0]=4 579 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 34a_100012361290_200000210301 [2,0,0,0,0,0|2,0,0]=4 580 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 7a_100012361290_200000210301 [2,0,0,0,0,0|2,0,0]=4 581 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 34a_100000718616_200025704644 [2,0,0,0,0,0|2,0,0]=4 582 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 7a_100000718616_200025704644 [2,0,0,0,0,0|2,0,0]=4 583 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200000210301_200014006352 [2,0,0,0,0,0|2,0,0]=4 584 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200014006352_200000210301 [2,0,0,0,0,0|2,0,0]=4 585 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200014006352_200025704644 [2,0,0,0,0,0|2,0,0]=4 586 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200025704644_200014006352 [2,0,0,0,0,0|2,0,0]=4 587 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 34a_100010232211_200025704644 [2,0,0,0,0,0|1,0,0]=3 588 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 7a_100010232211_200025704644 [2,0,0,0,0,0|1,0,0]=3 589 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 34a_100012361290_200025704644 [2,0,0,0,0,0|2,0,0]=4 590 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 7a_100012361290_200025704644 [2,0,0,0,0,0|2,0,0]=4 591 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [2,0,0,0,0,0|2,0,0]=4 592 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [2,0,0,0,0,0|2,0,0]=4 593 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 2230a_100009858536_200025704644 [2,0,0,0,0,0|1,1,0]=4 594 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 34a_100009858536_200025704644 [2,0,0,0,0,0|1,1,0]=4 595 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 7a_100009858536_200025704644 [2,0,0,0,0,0|1,1,0]=4 596 B12R1.449 COc1cc(c(cc1F)C)SC 62a_100011009880_200000210301 [2,0,0,0,0,0|1,1,0]=4 597 B12R1.449 COc1cc(c(cc1F)C)SC 62a_200000210301_100011009880 [2,0,0,0,0,0|1,1,0]=4 598 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_100011009880_200025704644 [2,0,0,0,0,0|1,1,0]=4 599 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100011009880 [2,0,0,0,0,0|1,1,0]=4 600 B12R1.449 COc1cc(c(cc1N)C)SC 62a_100010141321_200000210301 [2,0,0,0,0,0|2,0,0]=4 601 B12R1.449 COc1cc(c(cc1N)C)SC 62a_200000210301_100010141321 [2,0,0,0,0,0|2,0,0]=4 602 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_100010141321_200025704644 [2,0,0,0,0,0|2,0,0]=4 603 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010141321 [2,0,0,0,0,0|2,0,0]=4 604 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [2,0,0,0,0,0|1,1,0]=4 605 B12R1.449 COc1nc(c(cc1O)Br)OC 271570a_203496583355_100025726379 [2,0,0,0,0,0|2,0,0]=4 606 B12R1.450 CNc1cc(c(cc1Br)OC)C 34a_200010584344_200000210301 [2,0,0,0,0,0|1,0,0]=3 607 B12R1.450 CNc1cc(c(cc1Br)OC)C 7a_200010584344_200000210301 [2,0,0,0,0,0|1,0,0]=3 608 B12R1.450 CNc1cc(c(cc1Br)OC)F 34a_100010365326_200000210301 [2,0,0,0,0,0|2,0,0]=4 609 B12R1.450 CNc1cc(c(cc1C)OC)Br 34a_106657271712_200000210301 [2,0,0,0,0,0|1,0,0]=3 610 B12R1.450 CNc1cc(c(cc1C)OC)Br 7a_106657271712_200000210301 [2,0,0,0,0,0|1,0,0]=3 611 B12R1.450 CNc1cc(c(cc1C)OC)Cl 34a_100012039520_200000210301 [2,0,0,0,0,0|1,1,0]=4 612 B12R1.450 CNc1cc(c(cc1C)OC)Cl 7a_100012039520_200000210301 [2,0,0,0,0,0|1,1,0]=4 613 B12R1.450 COc1cc(c(cc1Br)N[13CH3])C 34a_106657271712_200025704644 [2,0,0,0,0,0|1,0,0]=3 614 B12R1.450 COc1cc(c(cc1Br)N[13CH3])C 7a_106657271712_200025704644 [2,0,0,0,0,0|1,0,0]=3 615 B12R1.450 COc1cc(c(cc1C)N[13CH3])Br 34a_200010584344_200025704644 [2,0,0,0,0,0|1,0,0]=3 616 B12R1.450 COc1cc(c(cc1C)N[13CH3])Br 7a_200010584344_200025704644 [2,0,0,0,0,0|1,0,0]=3 617 B12R1.450 COc1cc(c(cc1C)OC)O 271570a_203496583355_100000039368 [2,0,0,0,0,0|1,0,0]=3 618 B12R1.450 COc1cc(c(cc1C)SC)C 62a_100000698960_200000210301 [2,0,0,0,0,0|1,1,0]=4 619 B12R1.450 COc1cc(c(cc1C)SC)C 62a_200000210301_100000698960 [2,0,0,0,0,0|1,1,0]=4 620 B12R1.450 COc1cc(c(cc1C)SC)N 62a_100010244135_200000210301 [2,0,0,0,0,0|1,1,0]=4 621 B12R1.450 COc1cc(c(cc1C)SC)N 62a_200000210301_100010244135 [2,0,0,0,0,0|1,1,0]=4 622 B12R1.450 COc1cc(c(cc1C)S[13CH3])C 62a_100000698960_200025704644 [2,0,0,0,0,0|1,1,0]=4 623 B12R1.450 COc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100000698960 [2,0,0,0,0,0|1,1,0]=4 624 B12R1.450 COc1cc(c(cc1C)S[13CH3])N 62a_100010244135_200025704644 [2,0,0,0,0,0|1,1,0]=4 625 B12R1.450 COc1cc(c(cc1C)S[13CH3])N 62a_200025704644_100010244135 [2,0,0,0,0,0|1,1,0]=4 626 B12R1.450 COc1cc(c(cc1Cl)N[13CH3])C 34a_100012039520_200025704644 [2,0,0,0,0,0|1,1,0]=4 627 B12R1.450 COc1cc(c(cc1Cl)N[13CH3])C 7a_100012039520_200025704644 [2,0,0,0,0,0|1,1,0]=4 628 B12R1.450 COc1cc(c(cc1F)N[13CH3])Br 34a_100010365326_200025704644 [2,0,0,0,0,0|2,0,0]=4 629 B12R1.450 COc1cc(c(cc1F)SC)C 62a_100010074640_200000210301 [2,0,0,0,0,0|0,2,0]=4 630 B12R1.450 COc1cc(c(cc1F)SC)C 62a_200000210301_100010074640 [2,0,0,0,0,0|0,2,0]=4 631 B12R1.450 COc1cc(c(cc1F)SC)N 62a_100010208193_200000210301 [2,0,0,0,0,0|0,2,0]=4 632 B12R1.450 COc1cc(c(cc1F)SC)N 62a_200000210301_100010208193 [2,0,0,0,0,0|0,2,0]=4 633 B12R1.450 COc1cc(c(cc1F)S[13CH3])C 62a_100010074640_200025704644 [2,0,0,0,0,0|0,2,0]=4 634 B12R1.450 COc1cc(c(cc1F)S[13CH3])C 62a_200025704644_100010074640 [2,0,0,0,0,0|0,2,0]=4 635 B12R1.450 COc1cc(c(cc1F)S[13CH3])N 62a_100010208193_200025704644 [2,0,0,0,0,0|0,2,0]=4 636 B12R1.450 COc1cc(c(cc1F)S[13CH3])N 62a_200025704644_100010208193 [2,0,0,0,0,0|0,2,0]=4 637 B12R1.450 COc1cc(c(cc1N)SC)Cl 62a_100011011177_200000210301 [2,0,0,0,0,0|0,2,0]=4 638 B12R1.450 COc1cc(c(cc1N)SC)Cl 62a_200000210301_100011011177 [2,0,0,0,0,0|0,2,0]=4 639 B12R1.450 COc1cc(c(cc1N)SC)F 62a_100012361397_200000210301 [2,0,0,0,0,0|0,2,0]=4 640 B12R1.450 COc1cc(c(cc1N)SC)F 62a_200000210301_100012361397 [2,0,0,0,0,0|0,2,0]=4 641 B12R1.450 COc1cc(c(cc1N)S[13CH3])Cl 62a_100011011177_200025704644 [2,0,0,0,0,0|0,2,0]=4 642 B12R1.450 COc1cc(c(cc1N)S[13CH3])Cl 62a_200025704644_100011011177 [2,0,0,0,0,0|0,2,0]=4 643 B12R1.450 COc1cc(c(cc1N)S[13CH3])F 62a_100012361397_200025704644 [2,0,0,0,0,0|0,2,0]=4 644 B12R1.450 COc1cc(c(cc1N)S[13CH3])F 62a_200025704644_100012361397 [2,0,0,0,0,0|0,2,0]=4 645 B12R1.450 COc1cc(c(cc1O)OC)Br 271570a_203496583355_100013799044 [2,0,0,0,0,0|1,0,0]=3 646 B12R1.450 COc1cc(c(cc1O)OC)Cl 271570a_203496583355_100000023288 [2,0,0,0,0,0|1,1,0]=4 647 B12R1.450 COc1cc(c(cc1O)OC)O 271570a_203496583355_100009816818 [2,0,0,0,0,0|2,0,0]=4 648 B12R1.112 CCNc1ccc(cc1OC)Br 34a_100011279103_100000210202 [2,0,0,0,0,0|2,0,0]=4 649 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [2,0,0,0,0,0|2,0,0]=4 650 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [2,0,0,0,0,0|2,0,0]=4 651 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100000210202_100010245111 [2,0,0,0,0,0|2,0,0]=4 652 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100010245111_100000210202 [2,0,0,0,0,0|2,0,0]=4 653 B12R1.112 CNCc1ccc(cc1OC)Br 207a_100102657272_100000697075 [2,0,0,0,0,0|2,0,0]=4 654 B12R1.112 CNCc1ccc(cc1OC)Br 2230a_106832991635_100012359436 [2,0,0,0,0,0|2,0,0]=4 655 B12R1.112 CNCc1ccc(cc1OC)Br 26a_100102657272_100000694246 [2,0,0,0,0,0|2,0,0]=4 656 B12R1.112 CNCc1ccc(cc1OC)Br 270004a_106832991635_100000697075 [2,0,0,0,0,0|2,0,0]=4 657 B12R1.112 CNCc1ccc(cc1OC)Br 34a_100102657272_100012359436 [2,0,0,0,0,0|2,0,0]=4 658 B12R1.112 CNCc1ccc(cc1OC)Br 7a_106832991635_100012359436 [2,0,0,0,0,0|2,0,0]=4 659 B12R1.112 COCc1ccc(cc1OC)Br 34a_100011277633_200000210301 [2,0,0,0,0,0|2,0,0]=4 660 B12R1.112 COCc1ccc(cc1OC)Br 34a_100138415774_100012359436 [2,0,0,0,0,0|2,0,0]=4 661 B12R1.112 COCc1ccc(cc1OC)Br 7a_100011277633_200000210301 [2,0,0,0,0,0|2,0,0]=4 662 B12R1.112 COc1cc(ccc1CO[13CH3])Br 34a_100011277633_200025704644 [2,0,0,0,0,0|2,0,0]=4 663 B12R1.112 COc1cc(ccc1CO[13CH3])Br 7a_100011277633_200025704644 [2,0,0,0,0,0|2,0,0]=4 664 B12R1.112 COc1cc(ccc1CSC)Br 62a_100012359436_200000210301 [2,0,0,0,0,0|2,0,0]=4 665 B12R1.112 COc1cc(ccc1CSC)Br 62a_200000210301_100012359436 [2,0,0,0,0,0|2,0,0]=4 666 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_100012359436_200025704644 [2,0,0,0,0,0|2,0,0]=4 667 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_200025704644_100012359436 [2,0,0,0,0,0|2,0,0]=4 668 B12R1.112 COc1cc(ccc1NCF)Br 34a_100011279103_100015361967 [2,0,0,0,0,0|2,0,0]=4 669 B12R1.112 COc1cc(ccc1OCF)Br 34a_100000694246_100015361967 [2,0,0,0,0,0|2,0,0]=4 670 B12R1.112 COc1cc(ccc1OCF)Br 7a_100000694246_100015361967 [2,0,0,0,0,0|2,0,0]=4 671 B12R1.112 COc1cc(ccc1SCF)Br 62a_100010245111_100015361967 [2,0,0,0,0,0|2,0,0]=4 672 B12R1.112 COc1cc(ccc1SCF)Br 62a_100015361967_100010245111 [2,0,0,0,0,0|2,0,0]=4 673 B12R1.1123 CCNc1cc(c(cc1C)Br)C 2230a_100011934712_100000210202 [2,0,0,0,0,0|2,0,0]=4 674 B12R1.1123 CCNc1cc(c(cc1C)Br)C 34a_100011934712_100000210202 [2,0,0,0,0,0|2,0,0]=4 675 B12R1.1123 CCNc1cc(c(cc1C)Br)C 7a_100011934712_100000210202 [2,0,0,0,0,0|2,0,0]=4 676 B12R1.1123 CCNc1cc(c(cc1O)Br)C 34a_200010107346_100000210202 [2,0,0,0,0,0|2,0,0]=4 677 B12R1.1123 CCOc1cc(c(cc1C)Br)C 34a_100000698207_100000210202 [2,0,0,0,0,0|2,0,0]=4 678 B12R1.1123 CCOc1cc(c(cc1C)Br)C 7a_100000698207_100000210202 [2,0,0,0,0,0|2,0,0]=4 679 B12R1.1123 CCSc1cc(c(cc1C)Br)C 62a_100000210202_100011356911 [2,0,0,0,0,0|2,0,0]=4 680 B12R1.1123 CCSc1cc(c(cc1C)Br)C 62a_100011356911_100000210202 [2,0,0,0,0,0|2,0,0]=4 681 B12R1.1123 CNCc1cc(c(cc1C)Br)C 207a_100102657272_100012024176 [2,0,0,0,0,0|2,0,0]=4 682 B12R1.1123 CNCc1cc(c(cc1C)Br)C 26a_100102657272_100000698207 [2,0,0,0,0,0|2,0,0]=4 683 B12R1.1123 CNCc1cc(c(cc1C)Br)C 270004a_106832991635_100012024176 [2,0,0,0,0,0|2,0,0]=4 684 B12R1.1123 Cc1cc(c(cc1Br)C)NCF 34a_100011934712_100015361967 [2,0,0,0,0,0|2,0,0]=4 685 B12R1.1123 Cc1cc(c(cc1Br)C)NCF 7a_100011934712_100015361967 [2,0,0,0,0,0|2,0,0]=4 686 B12R1.1123 Cc1cc(c(cc1Br)C)OCF 34a_100000698207_100015361967 [2,0,0,0,0,0|2,0,0]=4 687 B12R1.1123 Cc1cc(c(cc1Br)C)OCF 7a_100000698207_100015361967 [2,0,0,0,0,0|2,0,0]=4 688 B12R1.1123 Cc1cc(c(cc1Br)C)SCF 62a_100011356911_100015361967 [2,0,0,0,0,0|2,0,0]=4 689 B12R1.1123 Cc1cc(c(cc1Br)C)SCF 62a_100015361967_100011356911 [2,0,0,0,0,0|2,0,0]=4 690 B12R1.1123 Cc1cc(c(cc1Br)O)NCF 34a_200010107346_100015361967 [2,0,0,0,0,0|2,0,0]=4 691 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [2,0,0,0,0,0|2,0,0]=4 692 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [2,0,0,0,0,0|2,0,0]=4 693 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [2,0,0,0,0,0|2,0,0]=4 694 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [2,0,0,0,0,0|2,0,0]=4 695 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [2,0,0,0,0,0|2,0,0]=4 696 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [2,0,0,0,0,0|2,0,0]=4 697 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [2,0,0,0,0,0|2,0,0]=4 698 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [2,0,0,0,0,0|2,0,0]=4 699 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [2,0,0,0,0,0|2,0,0]=4 700 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [2,0,0,0,0,0|2,0,0]=4 701 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [2,0,0,0,0,0|2,0,0]=4 702 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [2,0,0,0,0,0|2,0,0]=4 703 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [2,0,0,0,0,0|2,0,0]=4 704 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [2,0,0,0,0,0|2,0,0]=4 705 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [2,0,0,0,0,0|2,0,0]=4 706 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [2,0,0,0,0,0|2,0,0]=4 707 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [2,0,0,0,0,0|2,0,0]=4 708 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [2,0,0,0,0,0|2,0,0]=4 709 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [2,0,0,0,0,0|2,0,0]=4 710 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [2,0,0,0,0,0|2,0,0]=4 711 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [2,0,0,0,0,0|2,0,0]=4 712 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [2,0,0,0,0,0|2,0,0]=4 713 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [2,0,0,0,0,0|2,0,0]=4 714 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [2,0,0,0,0,0|2,0,0]=4 715 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [2,0,0,0,0,0|2,0,0]=4 716 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [2,0,0,0,0,0|2,0,0]=4 717 B14R1.441 C=C(C)c1ccc(c(c1)CCN)OC 271570a_100000694244_100000763266 [1,1,0,0,0,0|1,0,0]=3 718 B14R1.759 C#CCNc1cc(ccc1OC)OC 2230a_100000184736_100000038162 [1,1,0,0,0,0|1,0,1]=4 719 B14R1.759 C#CCNc1cc(ccc1OC)OC 34a_100000184736_100000184674 [1,1,0,0,0,0|1,0,1]=4 720 B14R1.759 C#CCOc1cc(ccc1OC)OC 34a_100000074795_100000184674 [1,1,0,0,0,0|1,0,1]=4 721 B14R1.759 C#CCSc1cc(ccc1OC)OC 62a_100000038162_100011215452 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.759 C=CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210623 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.759 C=CCNc1cc(ccc1OC)OC 34a_100000184736_100015514636 [1,1,0,0,0,0|1,0,1]=4 724 B14R1.759 C=CCOc1cc(ccc1OC)OC 34a_100000074795_100015514636 [1,1,0,0,0,0|1,0,1]=4 725 B14R1.759 C=CCSc1cc(ccc1OC)OC 62a_100000210623_100011215452 [1,1,0,0,0,0|1,0,1]=4 726 B14R1.759 C=CCSc1cc(ccc1OC)OC 62a_100011215452_100000210623 [1,1,0,0,0,0|1,0,1]=4 727 B14R1.759 CCCCc1cc(ccc1OC)CC 271570a_100020621405_100010062400 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.759 CCCCc1cc(ccc1OC)NC 271570a_100020621405_114948341033 [1,1,0,0,0,0|2,0,0]=4 729 B14R1.759 CCCCc1cc(ccc1OC)OC 271570a_100020621405_100011215452 [1,1,0,0,0,0|1,0,0]=3 730 B14R1.759 CCCNc1cc(ccc1OC)CC 2230a_100012035449_100000210303 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.759 CCCNc1cc(ccc1OC)CC 34a_100012035449_100000210303 [1,1,0,0,0,0|2,0,0]=4 732 B14R1.759 CCCNc1cc(ccc1OC)OC 2230a_100000184736_100000210303 [1,1,0,0,0,0|1,0,0]=3 733 B14R1.759 CCCNc1cc(ccc1OC)OC 34a_100000184736_100000210303 [1,1,0,0,0,0|1,0,0]=3 734 B14R1.759 CCCOc1cc(ccc1OC)CC 34a_100009844796_100000210303 [1,1,0,0,0,0|2,0,0]=4 735 B14R1.759 CCCOc1cc(ccc1OC)CC 7a_100009844796_100000210303 [1,1,0,0,0,0|2,0,0]=4 736 B14R1.759 CCCOc1cc(ccc1OC)OC 34a_100000074795_100000210303 [1,1,0,0,0,0|1,0,0]=3 737 B14R1.759 CCCSc1cc(ccc1OC)CC 62a_100000210303_100010062400 [1,1,0,0,0,0|2,0,0]=4 738 B14R1.759 CCCSc1cc(ccc1OC)CC 62a_100010062400_100000210303 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.759 CCCSc1cc(ccc1OC)NC 62a_100000210303_114948341033 [1,1,0,0,0,0|2,0,0]=4 740 B14R1.759 CCCSc1cc(ccc1OC)NC 62a_114948341033_100000210303 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.759 CCCSc1cc(ccc1OC)OC 62a_100000210303_100011215452 [1,1,0,0,0,0|1,0,0]=3 742 B14R1.759 CCCSc1cc(ccc1OC)OC 62a_100011215452_100000210303 [1,1,0,0,0,0|1,0,0]=3 743 B14R1.759 CCNCc1cc(ccc1OC)CC 207a_100015525214_200000117280 [1,1,0,0,0,0|2,0,0]=4 744 B14R1.759 CCNCc1cc(ccc1OC)CC 270004a_100015525214_200000117280 [1,1,0,0,0,0|2,0,0]=4 745 B14R1.759 CCNCc1cc(ccc1OC)OC 207a_100015525214_100000170336 [1,1,0,0,0,0|1,0,0]=3 746 B14R1.759 CCNCc1cc(ccc1OC)OC 270004a_100015525214_100000170336 [1,1,0,0,0,0|1,0,0]=3 747 B14R1.759 CCNCc1cc(ccc1OC)OC 34a_100000185951_100000210202 [1,1,0,0,0,0|1,0,0]=3 748 B14R1.759 CCNCc1cc(ccc1OC)SC 62a_100015182949_200000210301 [1,1,0,0,0,0|1,1,0]=4 749 B14R1.759 CCNCc1cc(ccc1OC)SC 62a_200000210301_100015182949 [1,1,0,0,0,0|1,1,0]=4 750 B14R1.759 CCNCc1cc(ccc1OC)S[13CH3] 62a_100015182949_200025704644 [1,1,0,0,0,0|1,1,0]=4 751 B14R1.759 CCNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100015182949 [1,1,0,0,0,0|1,1,0]=4 752 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100000212306_100000210202 [1,1,0,0,0,0|1,0,0]=3 753 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100121572206_100011233847 [1,1,0,0,0,0|1,0,0]=3 754 B14R1.759 CCSCc1cc(ccc1OC)OC 62a_100000205131_100000210202 [1,1,0,0,0,0|1,0,0]=3 755 B14R1.759 CCSCc1cc(ccc1OC)OC 62a_100000210202_100011233847 [1,1,0,0,0,0|1,0,0]=3 756 B14R1.759 CCc1ccc(c(c1)NCCF)OC 2230a_100012035449_100011217306 [1,1,0,0,0,0|2,0,0]=4 757 B14R1.759 CCc1ccc(c(c1)NCCF)OC 34a_100012035449_100011217306 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.759 CCc1ccc(c(c1)NCCO)OC 2230a_100012035449_100000211926 [1,1,0,0,0,0|2,0,0]=4 759 B14R1.759 CCc1ccc(c(c1)NCCO)OC 34a_100012035449_100000211926 [1,1,0,0,0,0|2,0,0]=4 760 B14R1.759 CCc1ccc(c(c1)OCCF)OC 34a_100009844796_100011217306 [1,1,0,0,0,0|2,0,0]=4 761 B14R1.759 CCc1ccc(c(c1)OCCF)OC 7a_100009844796_100011217306 [1,1,0,0,0,0|2,0,0]=4 762 B14R1.759 CCc1ccc(c(c1)OCCO)OC 34a_100009844796_100000211926 [1,1,0,0,0,0|2,0,0]=4 763 B14R1.759 CCc1ccc(c(c1)OCCO)OC 7a_100009844796_100000211926 [1,1,0,0,0,0|2,0,0]=4 764 B14R1.759 CCc1ccc(c(c1)SCCF)OC 62a_100010062400_100011217306 [1,1,0,0,0,0|2,0,0]=4 765 B14R1.759 CCc1ccc(c(c1)SCCF)OC 62a_100011217306_100010062400 [1,1,0,0,0,0|2,0,0]=4 766 B14R1.759 CCc1ccc(c(c1)SCCO)OC 62a_100000211926_100010062400 [1,1,0,0,0,0|2,0,0]=4 767 B14R1.759 CCc1ccc(c(c1)SCCO)OC 62a_100010062400_100000211926 [1,1,0,0,0,0|2,0,0]=4 768 B14R1.759 CNc1ccc(c(c1)SCCF)OC 62a_100011217306_114948341033 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.759 CNc1ccc(c(c1)SCCF)OC 62a_114948341033_100011217306 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.759 CNc1ccc(c(c1)SCCO)OC 62a_100000211926_114948341033 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.759 CNc1ccc(c(c1)SCCO)OC 62a_114948341033_100000211926 [1,1,0,0,0,0|2,0,0]=4 772 B14R1.759 COCNc1cc(ccc1OC)OC 2230a_100000184736_100000766300 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100000766300_100011215452 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100011215452_100000766300 [1,1,0,0,0,0|2,0,0]=4 775 B14R1.759 COc1ccc(c(c1)CNCF)OC 34a_100000185951_100015361967 [1,1,0,0,0,0|1,0,0]=3 776 B14R1.759 COc1ccc(c(c1)COCF)OC 34a_100000212306_100015361967 [1,1,0,0,0,0|1,0,0]=3 777 B14R1.759 COc1ccc(c(c1)CSCF)OC 62a_100000205131_100015361967 [1,1,0,0,0,0|1,0,0]=3 778 B14R1.759 COc1ccc(c(c1)CSCF)OC 62a_100015361967_100011233847 [1,1,0,0,0,0|1,0,0]=3 779 B14R1.759 COc1ccc(c(c1)NCC#N)OC 2230a_100000184736_100011215382 [1,1,0,0,0,0|0,0,2]=4 780 B14R1.759 COc1ccc(c(c1)NCC=O)OC 2230a_100000184736_200015260668 [1,1,0,0,0,0|1,0,1]=4 781 B14R1.759 COc1ccc(c(c1)NCC=O)OC 34a_100000184736_200009817547 [1,1,0,0,0,0|1,0,1]=4 782 B14R1.759 COc1ccc(c(c1)NCCF)OC 2230a_100000184736_100011217306 [1,1,0,0,0,0|1,0,0]=3 783 B14R1.759 COc1ccc(c(c1)NCCF)OC 34a_100000184736_100011217306 [1,1,0,0,0,0|1,0,0]=3 784 B14R1.759 COc1ccc(c(c1)NCCO)OC 2230a_100000184736_100000211926 [1,1,0,0,0,0|1,0,0]=3 785 B14R1.759 COc1ccc(c(c1)NCCO)OC 34a_100000184736_100000211926 [1,1,0,0,0,0|1,0,0]=3 786 B14R1.759 COc1ccc(c(c1)NCSC)OC 2230a_100000184736_100011218213 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.759 COc1ccc(c(c1)NCSC)OC 34a_100000184736_100011218213 [1,1,0,0,0,0|2,0,0]=4 788 B14R1.759 COc1ccc(c(c1)OCC=O)OC 34a_100000074795_200009817547 [1,1,0,0,0,0|1,0,1]=4 789 B14R1.759 COc1ccc(c(c1)OCCF)OC 34a_100000074795_100011217306 [1,1,0,0,0,0|1,0,0]=3 790 B14R1.759 COc1ccc(c(c1)OCCO)OC 34a_100000074795_100000211926 [1,1,0,0,0,0|1,0,0]=3 791 B14R1.759 COc1ccc(c(c1)OCSC)OC 34a_100000074795_100011218213 [1,1,0,0,0,0|2,0,0]=4 792 B14R1.759 COc1ccc(c(c1)SCC#N)OC 62a_100011215382_100011215452 [1,1,0,0,0,0|0,0,2]=4 793 B14R1.759 COc1ccc(c(c1)SCC#N)OC 62a_100011215452_100011215382 [1,1,0,0,0,0|0,0,2]=4 794 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_100011215452_200015260668 [1,1,0,0,0,0|1,0,1]=4 795 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_200015260668_100011215452 [1,1,0,0,0,0|1,0,1]=4 796 B14R1.759 COc1ccc(c(c1)SCCF)OC 62a_100011215452_100011217306 [1,1,0,0,0,0|1,0,0]=3 797 B14R1.759 COc1ccc(c(c1)SCCF)OC 62a_100011217306_100011215452 [1,1,0,0,0,0|1,0,0]=3 798 B14R1.759 COc1ccc(c(c1)SCCO)OC 62a_100000211926_100011215452 [1,1,0,0,0,0|1,0,0]=3 799 B14R1.759 COc1ccc(c(c1)SCCO)OC 62a_100011215452_100000211926 [1,1,0,0,0,0|1,0,0]=3 800 B14R1.759 COc1ccc(c(c1)SCSC)OC 62a_100011215452_100011218213 [1,1,0,0,0,0|2,0,0]=4 801 B14R1.759 COc1ccc(c(c1)SCSC)OC 62a_100011218213_100011215452 [1,1,0,0,0,0|2,0,0]=4 802 B14R1.2315 CCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000210202 [1,1,0,0,0,0|1,0,1]=4 803 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000210202 [1,1,0,0,0,0|2,0,0]=4 804 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000204670 [1,1,0,0,0,0|2,0,0]=4 805 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 34a_100000221073_100000210202 [1,1,0,0,0,0|2,0,0]=4 806 B14R1.2315 CNC(C)c1cc(ccc1OC)OC 2230a_100000203798_200000210301 [1,1,0,0,0,0|2,0,0]=4 807 B14R1.2315 CNC(C)c1cc(ccc1OC)OC 269862a_106832991636_100000211297 [1,1,0,0,0,0|2,0,0]=4 808 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)OC 7a_100010402061_200000210301 [1,1,0,0,0,0|1,0,1]=4 809 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)O[13CH3] 7a_100010402061_200025704644 [1,1,0,0,0,0|1,0,1]=4 810 B14R1.2315 COc1ccc(c(c1)C(=O)CF)OC 1458a_100000185243_100015361967 [1,1,0,0,0,0|1,0,1]=4 811 B14R1.2315 COc1ccc(c(c1)C(C)N[13CH3])OC 2230a_100000203798_200025704644 [1,1,0,0,0,0|2,0,0]=4 812 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 34a_100000246477_200000210301 [1,1,0,0,0,0|2,0,0]=4 813 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 7a_100000246477_200000210301 [1,1,0,0,0,0|2,0,0]=4 814 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 34a_100000246477_200025704644 [1,1,0,0,0,0|2,0,0]=4 815 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 7a_100000246477_200025704644 [1,1,0,0,0,0|2,0,0]=4 816 B14R1.2315 COc1ccc(c(c1)N(C)CF)OC 269982a_100000221073_100015361967 [1,1,0,0,0,0|2,0,0]=4 817 B14R1.2315 COc1ccc(c(c1)N(C)CF)OC 34a_100000221073_100015361967 [1,1,0,0,0,0|2,0,0]=4 818 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_100000205131 [1,1,0,0,0,0|1,0,1]=4 819 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000212042_200000210301 [1,1,0,0,0,0|1,0,1]=4 820 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 34a_200000075431_200000210301 [1,1,0,0,0,0|1,0,1]=4 821 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 7a_200000075431_200000210301 [1,1,0,0,0,0|1,0,1]=4 822 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 34a_200000075431_200025704644 [1,1,0,0,0,0|1,0,1]=4 823 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 7a_200000075431_200025704644 [1,1,0,0,0,0|1,0,1]=4 824 B14R1.3723 COc1ccc(c(c1)CC(=O)[13CH3])OC 1458a_100000212042_200025704644 [1,1,0,0,0,0|1,0,1]=4 825 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 269982a_100102631434_100011233847 [1,1,0,0,0,0|2,0,0]=4 826 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_100000170336 [1,1,0,0,0,0|2,0,0]=4 827 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 2230a_100000184736_100000210206 [1,1,0,0,0,0|2,0,0]=4 828 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 34a_100000184736_100000210206 [1,1,0,0,0,0|2,0,0]=4 829 B14R1.3723 COc1ccc(c(c1)OC(C)C)OC 34a_100000074795_100000210206 [1,1,0,0,0,0|2,0,0]=4 830 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100000210206_100011215452 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100011215452_100000210206 [1,1,0,0,0,0|2,0,0]=4 832 B14R1.5121 C=C(C)c1ccc(cc1CCO)OC 271570a_100000694244_100012259501 [1,1,0,0,0,0|2,0,0]=4 833 B14R1.5236 C=CCc1cc(ccc1OCC)OC 7a_200000185190_100000210202 [1,1,0,0,0,0|1,0,1]=4 834 B14R1.5236 C=CCc1cc(ccc1OCF)OC 7a_200000185190_100015361967 [1,1,0,0,0,0|1,0,1]=4 835 B14R1.5236 CC=Cc1ccc(cc1CCO)OC 271570a_100016259895_100012259501 [1,1,0,0,0,0|2,0,0]=4 836 B14R1.5236 CCSc1ccc(cc1CCO)OC 62a_100000210202_100012259501 [1,1,0,0,0,0|1,1,0]=4 837 B14R1.5236 CCSc1ccc(cc1CCO)OC 62a_100012259501_100000210202 [1,1,0,0,0,0|1,1,0]=4 838 B14R1.5236 COc1ccc(c(c1)CCO)SCF 62a_100012259501_100015361967 [1,1,0,0,0,0|1,1,0]=4 839 B14R1.5236 COc1ccc(c(c1)CCO)SCF 62a_100015361967_100012259501 [1,1,0,0,0,0|1,1,0]=4 840 B14R1.5317 CCNc1cc(cc(c1OC)Br)OC 34a_100010294495_100000210202 [1,1,0,0,0,0|2,0,0]=4 841 B14R1.5317 CCOc1cc(cc(c1OC)Br)OC 34a_200020900881_100000210202 [1,1,0,0,0,0|2,0,0]=4 842 B14R1.5317 CCSc1cc(cc(c1OC)N)OC 62a_100000210202_100010294495 [1,1,0,0,0,0|2,0,0]=4 843 B14R1.5317 CCSc1cc(cc(c1OC)N)OC 62a_100010294495_100000210202 [1,1,0,0,0,0|2,0,0]=4 844 B14R1.5317 CCSc1cc(cc(c1OC)O)OC 62a_100000210202_200020900881 [1,1,0,0,0,0|2,0,0]=4 845 B14R1.5317 CNCc1cc(cc(c1OC)Br)OC 26a_100102657272_200020900881 [1,1,0,0,0,0|2,0,0]=4 846 B14R1.5317 COc1cc(c(c(c1)NCF)OC)Br 34a_100010294495_100015361967 [1,1,0,0,0,0|2,0,0]=4 847 B14R1.5317 COc1cc(c(c(c1)OCF)OC)Br 34a_200020900881_100015361967 [1,1,0,0,0,0|2,0,0]=4 848 B14R1.5317 COc1cc(c(c(c1)SCF)OC)N 62a_100010294495_100015361967 [1,1,0,0,0,0|2,0,0]=4 849 B14R1.5317 COc1cc(c(c(c1)SCF)OC)N 62a_100015361967_100010294495 [1,1,0,0,0,0|2,0,0]=4 850 B14R1.5317 COc1cc(c(c(c1)SCF)OC)O 62a_100015361967_200020900881 [1,1,0,0,0,0|2,0,0]=4 851 B14R1.6787 C=C=Cc1ccc(c(c1)CCN)OC 271570a_100015277604_100000763266 [1,1,0,0,0,0|1,0,1]=4 852 B14R1.6787 C=CCc1cc(ccc1OC)OCC 7a_100000184798_200000210301 [1,1,0,0,0,0|1,0,1]=4 853 B14R1.6787 C=CCc1cc(ccc1O[13CH3])OCC 7a_100000184798_200025704644 [1,1,0,0,0,0|1,0,1]=4 854 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [1,1,0,0,0,0|1,0,0]=3 855 B14R1.6787 CCSc1ccc(c(c1)CCN)OC 62a_100000210202_100000763266 [1,1,0,0,0,0|0,1,0]=3 856 B14R1.6787 CCSc1ccc(c(c1)CCN)OC 62a_100000763266_100000210202 [1,1,0,0,0,0|0,1,0]=3 857 B14R1.6787 COc1ccc(cc1CCN)SCF 62a_100000763266_100015361967 [1,1,0,0,0,0|0,1,0]=3 858 B14R1.6787 COc1ccc(cc1CCN)SCF 62a_100015361967_100000763266 [1,1,0,0,0,0|0,1,0]=3 859 B14R1.9401 CCSc1c(ccc(c1F)OC)OC 62a_100000210202_200016180952 [1,1,0,0,0,0|2,0,0]=4 860 B14R1.9401 CCSc1c(ccc(c1F)OC)OC 62a_200016180952_100000210202 [1,1,0,0,0,0|2,0,0]=4 861 B14R1.9401 COc1ccc(c(c1F)SCF)OC 62a_100015361967_200016180952 [1,1,0,0,0,0|2,0,0]=4 862 B14R1.9401 COc1ccc(c(c1F)SCF)OC 62a_200016180952_100015361967 [1,1,0,0,0,0|2,0,0]=4 863 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)Br 1458a_100011217046_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])Br 1458a_100011217046_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B14R1.2282 C=Cc1cc(c(cc1OC)OC)OC 271570a_100011290941_100000050122 [1,1,0,0,0,0|2,0,0]=4 866 B14R1.2282 COc1cc(c(cc1C=O)OC)SC 62a_100000188581_200000210301 [1,1,0,0,0,0|2,0,0]=4 867 B14R1.2282 COc1cc(c(cc1C=O)OC)S[13CH3] 62a_100000188581_200025704644 [1,1,0,0,0,0|2,0,0]=4 868 B14R1.2288 C=C(C)c1cc(c(cc1OC)Br)OC 271570a_100000694244_100013799044 [1,1,0,0,0,0|0,0,1]=3 869 B14R1.2288 C=C(C)c1cc(c(cc1OC)C)OC 271570a_100000694244_100000039368 [1,1,0,0,0,0|1,0,1]=4 870 B14R1.2288 C=C(C)c1cc(c(cc1OC)Cl)OC 271570a_100000694244_100000023288 [1,1,0,0,0,0|0,1,1]=4 871 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)OC 271570a_100000694244_100009816818 [1,1,0,0,0,0|1,0,1]=4 872 B14R1.2288 COc1cc(c(cc1O)OC)C(=O)C 271570a_203496583355_100012352748 [1,1,0,0,0,0|1,0,1]=4 873 B14R1.2293 COc1cc(c(cc1Br)C(=O)C)OC 1458a_100012350677_200000210301 [1,1,0,0,0,0|2,0,0]=4 874 B14R1.2293 COc1cc(c(cc1Br)C(=O)C)OC 7a_100009813116_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B14R1.2293 COc1cc(c(cc1Br)C(=O)C)O[13CH3] 7a_100009813116_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B14R1.2293 COc1cc(c(cc1Br)C(=O)[13CH3])OC 1458a_100012350677_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 207a_100102657272_100000170863 [1,1,0,0,0,0|2,0,0]=4 878 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 270004a_106832991635_100000170863 [1,1,0,0,0,0|2,0,0]=4 879 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 34a_100102657272_100011375086 [1,1,0,0,0,0|2,0,0]=4 880 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 7a_106832991635_100011375086 [1,1,0,0,0,0|2,0,0]=4 881 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_100138415774_100011375086 [1,1,0,0,0,0|1,0,0]=3 882 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_200000246283_200000210301 [1,1,0,0,0,0|1,0,0]=3 883 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 7a_200000246283_200000210301 [1,1,0,0,0,0|1,0,0]=3 884 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 34a_200000246283_200025704644 [1,1,0,0,0,0|1,0,0]=3 885 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 7a_200000246283_200025704644 [1,1,0,0,0,0|1,0,0]=3 886 B14R1.14946 COc1cc(c(cc1OC)CSC)Br 62a_100011375086_200000210301 [1,1,0,0,0,0|1,1,0]=4 887 B14R1.14946 COc1cc(c(cc1OC)CS[13CH3])Br 62a_100011375086_200025704644 [1,1,0,0,0,0|1,1,0]=4 888 B14R1.15070 CNCc1cc(c(cc1OC)OC)Br 207a_100102657272_200009812229 [1,1,0,0,0,0|2,0,0]=4 889 B14R1.15070 CNCc1cc(c(cc1OC)OC)Br 270004a_106832991635_200009812229 [1,1,0,0,0,0|2,0,0]=4 890 B14R1.15070 COCc1cc(c(cc1OC)OC)Br 34a_200010164068_200000210301 [1,1,0,0,0,0|1,0,0]=3 891 B14R1.15070 COCc1cc(c(cc1OC)OC)Br 7a_200010164068_200000210301 [1,1,0,0,0,0|1,0,0]=3 892 B14R1.15070 COCc1cc(c(cc1OC)OC)C 34a_200000081110_200000210301 [1,1,0,0,0,0|2,0,0]=4 893 B14R1.15070 COCc1cc(c(cc1OC)OC)C 7a_200000081110_200000210301 [1,1,0,0,0,0|2,0,0]=4 894 B14R1.15070 COc1cc(c(cc1Br)CO[13CH3])OC 34a_200010164068_200025704644 [1,1,0,0,0,0|1,0,0]=3 895 B14R1.15070 COc1cc(c(cc1Br)CO[13CH3])OC 7a_200010164068_200025704644 [1,1,0,0,0,0|1,0,0]=3 896 B14R1.15070 COc1cc(c(cc1C)CO[13CH3])OC 34a_200000081110_200025704644 [1,1,0,0,0,0|2,0,0]=4 897 B14R1.15070 COc1cc(c(cc1C)CO[13CH3])OC 7a_200000081110_200025704644 [1,1,0,0,0,0|2,0,0]=4 898 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Br 2230a_100010141321_100000210206 [1,1,0,0,0,0|2,0,0]=4 899 B14R1.2295 COc1cc(c(cc1NC(C)C)C)Br 34a_100010141321_100000210206 [1,1,0,0,0,0|2,0,0]=4 900 B14R1.4434 C#CCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000038162 [1,1,0,0,0,0|1,0,1]=4 901 B14R1.4434 C#CCNc1cc(c(cc1OC)Br)C 34a_100010141321_100000184674 [1,1,0,0,0,0|1,0,1]=4 902 B14R1.4434 C=CCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000210623 [1,1,0,0,0,0|1,0,1]=4 903 B14R1.4434 C=CCNc1cc(c(cc1OC)Br)C 34a_100010141321_100015514636 [1,1,0,0,0,0|1,0,1]=4 904 B14R1.4434 CCCCc1cc(c(cc1OC)F)C 271570a_100020621405_100010201977 [1,1,0,0,0,0|1,1,0]=4 905 B14R1.4434 CCCCc1cc(c(cc1OC)N)C 271570a_100020621405_100010232211 [1,1,0,0,0,0|2,0,0]=4 906 B14R1.4434 CCCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000210303 [1,1,0,0,0,0|1,0,0]=3 907 B14R1.4434 CCCNc1cc(c(cc1OC)Br)C 34a_100010141321_100000210303 [1,1,0,0,0,0|1,0,0]=3 908 B14R1.4434 CCCNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_100000210303 [1,1,0,0,0,0|2,0,0]=4 909 B14R1.4434 CCCNc1cc(c(cc1OC)Br)Cl 34a_100010212225_100000210303 [1,1,0,0,0,0|2,0,0]=4 910 B14R1.4434 CCCNc1cc(c(cc1OC)Br)F 2230a_100012766639_100000210303 [1,1,0,0,0,0|2,0,0]=4 911 B14R1.4434 CCCNc1cc(c(cc1OC)Br)F 34a_100012766639_100000210303 [1,1,0,0,0,0|2,0,0]=4 912 B14R1.4434 CCCNc1cc(c(cc1OC)Cl)C 2230a_100000211396_100000210303 [1,1,0,0,0,0|1,1,0]=4 913 B14R1.4434 CCCNc1cc(c(cc1OC)Cl)C 34a_100000211396_100000210303 [1,1,0,0,0,0|1,1,0]=4 914 B14R1.4434 CCCOc1cc(c(cc1OC)Br)F 34a_100010189133_100000210303 [1,1,0,0,0,0|2,0,0]=4 915 B14R1.4434 CCCOc1cc(c(cc1OC)Br)F 7a_100010189133_100000210303 [1,1,0,0,0,0|2,0,0]=4 916 B14R1.4434 CCCSc1cc(c(cc1OC)F)C 62a_100000210303_100010201977 [1,1,0,0,0,0|1,1,0]=4 917 B14R1.4434 CCCSc1cc(c(cc1OC)F)C 62a_100010201977_100000210303 [1,1,0,0,0,0|1,1,0]=4 918 B14R1.4434 CCCSc1cc(c(cc1OC)N)C 62a_100000210303_100010232211 [1,1,0,0,0,0|2,0,0]=4 919 B14R1.4434 CCCSc1cc(c(cc1OC)N)C 62a_100010232211_100000210303 [1,1,0,0,0,0|2,0,0]=4 920 B14R1.4434 COCNc1cc(c(cc1OC)Br)C 2230a_100010141321_100000766300 [1,1,0,0,0,0|2,0,0]=4 921 B14R1.4434 COc1cc(c(cc1NCC#N)C)Br 2230a_100010141321_100011215382 [1,1,0,0,0,0|0,0,2]=4 922 B14R1.4434 COc1cc(c(cc1NCC=O)C)Br 2230a_100010141321_200015260668 [1,1,0,0,0,0|1,0,1]=4 923 B14R1.4434 COc1cc(c(cc1NCC=O)C)Br 34a_100010141321_200009817547 [1,1,0,0,0,0|1,0,1]=4 924 B14R1.4434 COc1cc(c(cc1NCCF)C)Br 2230a_100010141321_100011217306 [1,1,0,0,0,0|1,0,0]=3 925 B14R1.4434 COc1cc(c(cc1NCCF)C)Br 34a_100010141321_100011217306 [1,1,0,0,0,0|1,0,0]=3 926 B14R1.4434 COc1cc(c(cc1NCCF)C)Cl 2230a_100000211396_100011217306 [1,1,0,0,0,0|1,1,0]=4 927 B14R1.4434 COc1cc(c(cc1NCCF)C)Cl 34a_100000211396_100011217306 [1,1,0,0,0,0|1,1,0]=4 928 B14R1.4434 COc1cc(c(cc1NCCF)Cl)Br 2230a_100010212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 929 B14R1.4434 COc1cc(c(cc1NCCF)Cl)Br 34a_100010212225_100011217306 [1,1,0,0,0,0|2,0,0]=4 930 B14R1.4434 COc1cc(c(cc1NCCF)F)Br 2230a_100012766639_100011217306 [1,1,0,0,0,0|2,0,0]=4 931 B14R1.4434 COc1cc(c(cc1NCCF)F)Br 34a_100012766639_100011217306 [1,1,0,0,0,0|2,0,0]=4 932 B14R1.4434 COc1cc(c(cc1NCCO)C)Br 2230a_100010141321_100000211926 [1,1,0,0,0,0|1,0,0]=3 933 B14R1.4434 COc1cc(c(cc1NCCO)C)Br 34a_100010141321_100000211926 [1,1,0,0,0,0|1,0,0]=3 934 B14R1.4434 COc1cc(c(cc1NCCO)C)Cl 2230a_100000211396_100000211926 [1,1,0,0,0,0|1,1,0]=4 935 B14R1.4434 COc1cc(c(cc1NCCO)C)Cl 34a_100000211396_100000211926 [1,1,0,0,0,0|1,1,0]=4 936 B14R1.4434 COc1cc(c(cc1NCCO)Cl)Br 2230a_100010212225_100000211926 [1,1,0,0,0,0|2,0,0]=4 937 B14R1.4434 COc1cc(c(cc1NCCO)Cl)Br 34a_100010212225_100000211926 [1,1,0,0,0,0|2,0,0]=4 938 B14R1.4434 COc1cc(c(cc1NCCO)F)Br 2230a_100012766639_100000211926 [1,1,0,0,0,0|2,0,0]=4 939 B14R1.4434 COc1cc(c(cc1NCCO)F)Br 34a_100012766639_100000211926 [1,1,0,0,0,0|2,0,0]=4 940 B14R1.4434 COc1cc(c(cc1NCSC)C)Br 2230a_100010141321_100011218213 [1,1,0,0,0,0|2,0,0]=4 941 B14R1.4434 COc1cc(c(cc1NCSC)C)Br 34a_100010141321_100011218213 [1,1,0,0,0,0|2,0,0]=4 942 B14R1.4434 COc1cc(c(cc1OCCF)F)Br 34a_100010189133_100011217306 [1,1,0,0,0,0|2,0,0]=4 943 B14R1.4434 COc1cc(c(cc1OCCF)F)Br 7a_100010189133_100011217306 [1,1,0,0,0,0|2,0,0]=4 944 B14R1.4434 COc1cc(c(cc1OCCO)F)Br 34a_100010189133_100000211926 [1,1,0,0,0,0|2,0,0]=4 945 B14R1.4434 COc1cc(c(cc1OCCO)F)Br 7a_100010189133_100000211926 [1,1,0,0,0,0|2,0,0]=4 946 B14R1.4434 COc1cc(c(cc1SCCF)C)F 62a_100010201977_100011217306 [1,1,0,0,0,0|1,1,0]=4 947 B14R1.4434 COc1cc(c(cc1SCCF)C)F 62a_100011217306_100010201977 [1,1,0,0,0,0|1,1,0]=4 948 B14R1.4434 COc1cc(c(cc1SCCF)C)N 62a_100010232211_100011217306 [1,1,0,0,0,0|2,0,0]=4 949 B14R1.4434 COc1cc(c(cc1SCCF)C)N 62a_100011217306_100010232211 [1,1,0,0,0,0|2,0,0]=4 950 B14R1.4434 COc1cc(c(cc1SCCO)C)F 62a_100000211926_100010201977 [1,1,0,0,0,0|1,1,0]=4 951 B14R1.4434 COc1cc(c(cc1SCCO)C)F 62a_100010201977_100000211926 [1,1,0,0,0,0|1,1,0]=4 952 B14R1.4434 COc1cc(c(cc1SCCO)C)N 62a_100000211926_100010232211 [1,1,0,0,0,0|2,0,0]=4 953 B14R1.4434 COc1cc(c(cc1SCCO)C)N 62a_100010232211_100000211926 [1,1,0,0,0,0|2,0,0]=4 954 B14R1.881 COc1cc(c(cc1Br)C)NC(C)C 34a_100010232211_100000210206 [1,1,0,0,0,0|2,0,0]=4 955 B14R1.881 COc1cc(c(cc1Br)C)NC(C)C 7a_100010232211_100000210206 [1,1,0,0,0,0|2,0,0]=4 956 B14R1.4435 C#CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100000184674 [1,1,0,0,0,0|1,0,1]=4 957 B14R1.4435 C#CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100000038162 [1,1,0,0,0,0|1,0,1]=4 958 B14R1.4435 C=CCNc1cc(c(cc1C)Br)OC 34a_100010232211_100015514636 [1,1,0,0,0,0|1,0,1]=4 959 B14R1.4435 C=CCNc1cc(c(cc1C)Br)OC 7a_100010232211_100015514636 [1,1,0,0,0,0|1,0,1]=4 960 B14R1.4435 CCCCc1cc(c(cc1Br)Br)OC 271570a_100020621405_200014006352 [1,1,0,0,0,0|2,0,0]=4 961 B14R1.4435 CCCCc1cc(c(cc1C)F)OC 271570a_100020621405_100011009880 [1,1,0,0,0,0|1,1,0]=4 962 B14R1.4435 CCCCc1cc(c(cc1C)N)OC 271570a_100020621405_100010141321 [1,1,0,0,0,0|2,0,0]=4 963 B14R1.4435 CCCNc1cc(c(cc1Br)Br)OC 34a_100000718616_100000210303 [1,1,0,0,0,0|2,0,0]=4 964 B14R1.4435 CCCNc1cc(c(cc1Br)Br)OC 7a_100000718616_100000210303 [1,1,0,0,0,0|2,0,0]=4 965 B14R1.4435 CCCNc1cc(c(cc1C)Br)OC 34a_100010232211_100000210303 [1,1,0,0,0,0|1,0,0]=3 966 B14R1.4435 CCCNc1cc(c(cc1C)Br)OC 7a_100010232211_100000210303 [1,1,0,0,0,0|1,0,0]=3 967 B14R1.4435 CCCNc1cc(c(cc1C)Cl)OC 2230a_100009858536_100000210303 [1,1,0,0,0,0|1,1,0]=4 968 B14R1.4435 CCCNc1cc(c(cc1C)Cl)OC 34a_100009858536_100000210303 [1,1,0,0,0,0|1,1,0]=4 969 B14R1.4435 CCCNc1cc(c(cc1C)Cl)OC 7a_100009858536_100000210303 [1,1,0,0,0,0|1,1,0]=4 970 B14R1.4435 CCCNc1cc(c(cc1Cl)Br)OC 34a_100012361290_100000210303 [1,1,0,0,0,0|2,0,0]=4 971 B14R1.4435 CCCNc1cc(c(cc1Cl)Br)OC 7a_100012361290_100000210303 [1,1,0,0,0,0|2,0,0]=4 972 B14R1.4435 CCCSc1cc(c(cc1Br)Br)OC 62a_100000210303_200014006352 [1,1,0,0,0,0|2,0,0]=4 973 B14R1.4435 CCCSc1cc(c(cc1Br)Br)OC 62a_200014006352_100000210303 [1,1,0,0,0,0|2,0,0]=4 974 B14R1.4435 CCCSc1cc(c(cc1C)F)OC 62a_100000210303_100011009880 [1,1,0,0,0,0|1,1,0]=4 975 B14R1.4435 CCCSc1cc(c(cc1C)F)OC 62a_100011009880_100000210303 [1,1,0,0,0,0|1,1,0]=4 976 B14R1.4435 CCCSc1cc(c(cc1C)N)OC 62a_100000210303_100010141321 [1,1,0,0,0,0|2,0,0]=4 977 B14R1.4435 CCCSc1cc(c(cc1C)N)OC 62a_100010141321_100000210303 [1,1,0,0,0,0|2,0,0]=4 978 B14R1.4435 CCNCc1cc(c(cc1Br)Br)OC 207a_100015525214_100010996155 [1,1,0,0,0,0|2,0,0]=4 979 B14R1.4435 CCNCc1cc(c(cc1Br)Br)OC 270004a_100015525214_100010996155 [1,1,0,0,0,0|2,0,0]=4 980 B14R1.4435 CCNCc1cc(c(cc1F)Br)OC 207a_100015525214_100000695681 [1,1,0,0,0,0|2,0,0]=4 981 B14R1.4435 CCNCc1cc(c(cc1F)Br)OC 270004a_100015525214_100000695681 [1,1,0,0,0,0|2,0,0]=4 982 B14R1.4435 COc1cc(c(cc1Br)Br)NCCF 34a_100000718616_100011217306 [1,1,0,0,0,0|2,0,0]=4 983 B14R1.4435 COc1cc(c(cc1Br)Br)NCCF 7a_100000718616_100011217306 [1,1,0,0,0,0|2,0,0]=4 984 B14R1.4435 COc1cc(c(cc1Br)Br)NCCO 34a_100000718616_100000211926 [1,1,0,0,0,0|2,0,0]=4 985 B14R1.4435 COc1cc(c(cc1Br)Br)NCCO 7a_100000718616_100000211926 [1,1,0,0,0,0|2,0,0]=4 986 B14R1.4435 COc1cc(c(cc1Br)Br)SCCF 62a_100011217306_200014006352 [1,1,0,0,0,0|2,0,0]=4 987 B14R1.4435 COc1cc(c(cc1Br)Br)SCCF 62a_200014006352_100011217306 [1,1,0,0,0,0|2,0,0]=4 988 B14R1.4435 COc1cc(c(cc1Br)Br)SCCO 62a_100000211926_200014006352 [1,1,0,0,0,0|2,0,0]=4 989 B14R1.4435 COc1cc(c(cc1Br)Br)SCCO 62a_200014006352_100000211926 [1,1,0,0,0,0|2,0,0]=4 990 B14R1.4435 COc1cc(c(cc1Br)C)NCC#N 7a_100010232211_100011215382 [1,1,0,0,0,0|0,0,2]=4 991 B14R1.4435 COc1cc(c(cc1Br)C)NCC=O 34a_100010232211_200009817547 [1,1,0,0,0,0|1,0,1]=4 992 B14R1.4435 COc1cc(c(cc1Br)C)NCC=O 7a_100010232211_200015260668 [1,1,0,0,0,0|1,0,1]=4 993 B14R1.4435 COc1cc(c(cc1Br)C)NCCF 34a_100010232211_100011217306 [1,1,0,0,0,0|1,0,0]=3 994 B14R1.4435 COc1cc(c(cc1Br)C)NCCF 7a_100010232211_100011217306 [1,1,0,0,0,0|1,0,0]=3 995 B14R1.4435 COc1cc(c(cc1Br)C)NCCO 34a_100010232211_100000211926 [1,1,0,0,0,0|1,0,0]=3 996 B14R1.4435 COc1cc(c(cc1Br)C)NCCO 7a_100010232211_100000211926 [1,1,0,0,0,0|1,0,0]=3 997 B14R1.4435 COc1cc(c(cc1Br)C)NCSC 34a_100010232211_100011218213 [1,1,0,0,0,0|2,0,0]=4 998 B14R1.4435 COc1cc(c(cc1Br)Cl)NCCF 34a_100012361290_100011217306 [1,1,0,0,0,0|2,0,0]=4 999 B14R1.4435 COc1cc(c(cc1Br)Cl)NCCF 7a_100012361290_100011217306 [1,1,0,0,0,0|2,0,0]=4 1000 B14R1.4435 COc1cc(c(cc1Br)Cl)NCCO 34a_100012361290_100000211926 [1,1,0,0,0,0|2,0,0]=4 1001 B14R1.4435 COc1cc(c(cc1Br)Cl)NCCO 7a_100012361290_100000211926 [1,1,0,0,0,0|2,0,0]=4 1002 B14R1.4435 COc1cc(c(cc1Cl)C)NCCF 2230a_100009858536_100011217306 [1,1,0,0,0,0|1,1,0]=4 1003 B14R1.4435 COc1cc(c(cc1Cl)C)NCCF 34a_100009858536_100011217306 [1,1,0,0,0,0|1,1,0]=4 1004 B14R1.4435 COc1cc(c(cc1Cl)C)NCCF 7a_100009858536_100011217306 [1,1,0,0,0,0|1,1,0]=4 1005 B14R1.4435 COc1cc(c(cc1Cl)C)NCCO 2230a_100009858536_100000211926 [1,1,0,0,0,0|1,1,0]=4 1006 B14R1.4435 COc1cc(c(cc1Cl)C)NCCO 34a_100009858536_100000211926 [1,1,0,0,0,0|1,1,0]=4 1007 B14R1.4435 COc1cc(c(cc1Cl)C)NCCO 7a_100009858536_100000211926 [1,1,0,0,0,0|1,1,0]=4 1008 B14R1.4435 COc1cc(c(cc1F)C)SCCF 62a_100011009880_100011217306 [1,1,0,0,0,0|1,1,0]=4 1009 B14R1.4435 COc1cc(c(cc1F)C)SCCF 62a_100011217306_100011009880 [1,1,0,0,0,0|1,1,0]=4 1010 B14R1.4435 COc1cc(c(cc1F)C)SCCO 62a_100000211926_100011009880 [1,1,0,0,0,0|1,1,0]=4 1011 B14R1.4435 COc1cc(c(cc1F)C)SCCO 62a_100011009880_100000211926 [1,1,0,0,0,0|1,1,0]=4 1012 B14R1.4435 COc1cc(c(cc1N)C)SCCF 62a_100010141321_100011217306 [1,1,0,0,0,0|2,0,0]=4 1013 B14R1.4435 COc1cc(c(cc1N)C)SCCF 62a_100011217306_100010141321 [1,1,0,0,0,0|2,0,0]=4 1014 B14R1.4435 COc1cc(c(cc1N)C)SCCO 62a_100000211926_100010141321 [1,1,0,0,0,0|2,0,0]=4 1015 B14R1.4435 COc1cc(c(cc1N)C)SCCO 62a_100010141321_100000211926 [1,1,0,0,0,0|2,0,0]=4 1016 B16R1.20083 COc1cc(c(cc1Br)OC)OC(C)(C)C 34a_100009816818_100000210625 [0,2,0,0,0,0|2,0,0]=4 1017 B16R1.20083 COc1cc(c(cc1Br)OC)OC(F)(F)F 34a_100009816818_200103152311 [0,2,0,0,0,0|2,0,0]=4 1018 B16R1.20083 COc1cc(c(cc1Br)OC)OC(F)(F)F 7a_100009816818_200000243211 [0,2,0,0,0,0|2,0,0]=4 1019 B16R1.20083 COc1cc(c(cc1Br)OC)SC(C)(C)C 62a_100000211941_100013799044 [0,2,0,0,0,0|2,0,0]=4 1020 B16R1.20083 COc1cc(c(cc1Br)OC)SC(C)(C)C 62a_100013799044_100000211941 [0,2,0,0,0,0|2,0,0]=4 1021 B16R1.20083 COc1cc(c(cc1Br)OC)SC(F)(F)F 62a_100013799044_200103152311 [0,2,0,0,0,0|2,0,0]=4 1022 B16R1.20083 COc1cc(c(cc1Br)OC)SC(F)(F)F 62a_200000243211_100013799044 [0,2,0,0,0,0|2,0,0]=4 1023 B16R1.20087 C#CC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_200000035995 [0,2,0,0,0,0|1,0,1]=4 1024 B16R1.20087 C#CC(C)Sc1cc(c(cc1OC)Br)OC 62a_200000035995_100013799044 [0,2,0,0,0,0|1,0,1]=4 1025 B16R1.20087 C=CC(C)Sc1cc(c(cc1OC)Br)OC 62a_100011215867_100013799044 [0,2,0,0,0,0|1,0,1]=4 1026 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000758301 [0,2,0,0,0,0|1,1,0]=4 1027 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 34a_100000179761_100011215416 [0,2,0,0,0,0|1,1,0]=4 1028 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100011215416 [0,2,0,0,0,0|1,0,0]=3 1029 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000758301 [0,2,0,0,0,0|1,0,0]=3 1030 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100000758301_100013799044 [0,2,0,0,0,0|1,0,0]=3 1031 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000758301 [0,2,0,0,0,0|1,0,0]=3 1032 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000039368_100000758301 [0,2,0,0,0,0|2,0,0]=4 1033 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000758301_100000039368 [0,2,0,0,0,0|2,0,0]=4 1034 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000758301 [0,2,0,0,0,0|1,1,0]=4 1035 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000758301_100000023288 [0,2,0,0,0,0|1,1,0]=4 1036 B16R1.20087 CCN(C)Cc1cc(c(cc1OC)Br)OC 26a_100000225621_100009816818 [0,2,0,0,0,0|1,0,0]=3 1037 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)C#N 7a_100009816818_100000703298 [0,2,0,0,0,0|0,0,2]=4 1038 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 34a_100009816818_100012180447 [0,2,0,0,0,0|1,0,0]=3 1039 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 7a_100009816818_100012180447 [0,2,0,0,0,0|1,0,0]=3 1040 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)C#N 62a_100000703298_100013799044 [0,2,0,0,0,0|0,0,2]=4 1041 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)C#N 62a_100013799044_100000703298 [0,2,0,0,0,0|0,0,2]=4 1042 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)CO 62a_100012180447_100013799044 [0,2,0,0,0,0|1,0,0]=3 1043 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)OC 62a_100009879195_100013799044 [0,2,0,0,0,0|2,0,0]=4 1044 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)OC 62a_100013799044_100009879195 [0,2,0,0,0,0|2,0,0]=4 1045 B16R1.20087 COc1cc(c(cc1Br)OC)SC(F)C#N 62a_100013799044_200000117898 [0,2,0,0,0,0|0,0,2]=4 1046 B16R1.20087 COc1cc(c(cc1Br)OC)SC(F)C#N 62a_200000117898_100013799044 [0,2,0,0,0,0|0,0,2]=4 1047 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100013799044_100016084084 [0,2,0,0,0,0|1,0,0]=3 1048 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100016084084_100013799044 [0,2,0,0,0,0|1,0,0]=3 1049 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)CO 62a_100012180447_100000039368 [0,2,0,0,0,0|2,0,0]=4 1050 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100000039368_100016084084 [0,2,0,0,0,0|2,0,0]=4 1051 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100016084084_100000039368 [0,2,0,0,0,0|2,0,0]=4 1052 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 2230a_100000179761_100012180447 [0,2,0,0,0,0|1,1,0]=4 1053 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 34a_100000179761_100012180447 [0,2,0,0,0,0|1,1,0]=4 1054 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)CO 62a_100012180447_100000023288 [0,2,0,0,0,0|1,1,0]=4 1055 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100000023288_100016084084 [0,2,0,0,0,0|1,1,0]=4 1056 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100016084084_100000023288 [0,2,0,0,0,0|1,1,0]=4 1057 B16R1.70488 CCNC(C)c1cc(c(cc1OC)Br)OC 269862a_100015525214_100012352748 [0,2,0,0,0,0|1,0,0]=3 1058 B16R1.25748 CC=Cc1cc(c(cc1CCN)OC)OC 271570a_100016259895_200000215632 [0,2,0,0,0,0|2,0,0]=4 1059 B16R1.25748 CCSc1cc(c(cc1CCN)OC)OC 62a_100000210202_200000215632 [0,2,0,0,0,0|1,1,0]=4 1060 B16R1.25748 CCSc1cc(c(cc1CCN)OC)OC 62a_200000215632_100000210202 [0,2,0,0,0,0|1,1,0]=4 1061 B16R1.25748 COc1cc(c(cc1OC)SCF)CCN 62a_100015361967_200000215632 [0,2,0,0,0,0|1,1,0]=4 1062 B16R1.25748 COc1cc(c(cc1OC)SCF)CCN 62a_200000215632_100015361967 [0,2,0,0,0,0|1,1,0]=4 1063 B16R1.49305 CCOc1cc(c(cc1C(=O)OC)Br)OC 34a_200010007936_100000210202 [0,2,0,0,0,0|2,0,0]=4 1064 B16R1.49305 CCOc1cc(c(cc1C(=O)OC)Br)OC 7a_200010007936_100000210202 [0,2,0,0,0,0|2,0,0]=4 1065 B16R1.49305 CNCc1cc(c(cc1C(=O)OC)Br)OC 26a_100102657272_200010007936 [0,2,0,0,0,0|2,0,0]=4 1066 B16R1.49305 COC(=O)c1cc(c(cc1OCF)OC)Br 34a_200010007936_100015361967 [0,2,0,0,0,0|2,0,0]=4 1067 B16R1.49305 COC(=O)c1cc(c(cc1OCF)OC)Br 7a_200010007936_100015361967 [0,2,0,0,0,0|2,0,0]=4 1068 B16R1.49292 C=C(C)c1cc(c(cc1CCN)OC)OC 271570a_100000694244_200000215632 [0,2,0,0,0,0|2,0,0]=4 1069 B16R1.73190 CCCOc1cc(c(cc1C(=O)C)Br)OC 7a_100009813116_100000210303 [0,2,0,0,0,0|2,0,0]=4 1070 B16R1.73190 COc1cc(c(cc1Br)C(=O)C)OCCF 7a_100009813116_100011217306 [0,2,0,0,0,0|2,0,0]=4 1071 B16R1.73190 COc1cc(c(cc1Br)C(=O)C)OCCO 7a_100009813116_100000211926 [0,2,0,0,0,0|2,0,0]=4 1072 B16R1.25749 CCCc1cc(c(cc1OC)CNC)OC 207a_100102657272_100010097100 [0,2,0,0,0,0|2,0,0]=4 1073 B16R1.25749 CCCc1cc(c(cc1OC)CNC)OC 270004a_106832991635_100010097100 [0,2,0,0,0,0|2,0,0]=4 1074 B16R1.73198 CCCCc1cc(c(cc1OC)C=O)OC 271570a_100020621405_100000188581 [0,2,0,0,0,0|2,0,0]=4 1075 B16R1.73198 CCCCc1cc(c(cc1OC)OC)OC 271570a_100020621405_100000050122 [0,2,0,0,0,0|2,0,0]=4 1076 B16R1.73198 CCCSc1cc(c(cc1OC)C=O)OC 62a_100000188581_100000210303 [0,2,0,0,0,0|2,0,0]=4 1077 B16R1.73198 CCNCc1cc(c(cc1OC)CC)OC 207a_100015525214_200000092834 [0,2,0,0,0,0|2,0,0]=4 1078 B16R1.73198 CCNCc1cc(c(cc1OC)CC)OC 270004a_100015525214_200000092834 [0,2,0,0,0,0|2,0,0]=4 1079 B16R1.73198 CCNCc1cc(c(cc1OC)OC)OC 207a_100015525214_100000210981 [0,2,0,0,0,0|2,0,0]=4 1080 B16R1.73198 CCNCc1cc(c(cc1OC)OC)OC 270004a_100015525214_100000210981 [0,2,0,0,0,0|2,0,0]=4 1081 B16R1.73198 CCNCc1cc(c(cc1OC)OC)OC 34a_100000749821_100000210202 [0,2,0,0,0,0|2,0,0]=4 1082 B16R1.73198 CCOCc1cc(c(cc1OC)OC)OC 34a_100000199048_100000210202 [0,2,0,0,0,0|2,0,0]=4 1083 B16R1.73198 COc1cc(c(cc1C=O)OC)SCCF 62a_100000188581_100011217306 [0,2,0,0,0,0|2,0,0]=4 1084 B16R1.73198 COc1cc(c(cc1C=O)OC)SCCO 62a_100000188581_100000211926 [0,2,0,0,0,0|2,0,0]=4 1085 B16R1.73198 COc1cc(c(cc1CNCF)OC)OC 34a_100000749821_100015361967 [0,2,0,0,0,0|2,0,0]=4 1086 B16R1.73198 COc1cc(c(cc1COCF)OC)OC 34a_100000199048_100015361967 [0,2,0,0,0,0|2,0,0]=4 1087 B16R1.20060 C=C(C)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100000748629 [0,2,0,0,0,0|1,0,1]=4 1088 B16R1.20060 C=C(C)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000748629 [0,2,0,0,0,0|1,0,1]=4 1089 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Br)OC 62a_100000748629_100013799044 [0,2,0,0,0,0|1,0,1]=4 1090 B16R1.20060 C=C(C)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000211660 [0,2,0,0,0,0|1,0,1]=4 1091 B16R1.20060 C=C(F)COc1cc(c(cc1OC)Br)OC 34a_100009816818_100009893438 [0,2,0,0,0,0|1,0,1]=4 1092 B16R1.20060 C=C(F)COc1cc(c(cc1OC)Br)OC 7a_100009816818_100000042424 [0,2,0,0,0,0|1,0,1]=4 1093 B16R1.20060 C=C(F)CSc1cc(c(cc1OC)Br)OC 62a_100000042424_100013799044 [0,2,0,0,0,0|1,0,1]=4 1094 B16R1.20060 C=C(F)CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000042424 [0,2,0,0,0,0|1,0,1]=4 1095 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)C 271570a_100016257149_100013799044 [0,2,0,0,0,0|1,0,1]=4 1096 B16R1.20060 COc1cc(c(cc1Br)OC)C=CC(C)O 271570a_200011019289_100013799044 [0,2,0,0,0,0|1,0,1]=4 1097 B16R1.20060 COc1cc(c(cc1Br)OC)CNC(C)C 207a_100138425928_100000188581 [0,2,0,0,0,0|1,0,0]=3 1098 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)N 34a_100009816818_100000187820 [0,2,0,0,0,0|0,0,1]=3 1099 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)N 7a_100009816818_100000187820 [0,2,0,0,0,0|0,0,1]=3 1100 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(=O)[O-] 34a_100009816818_100020667443 [0,2,0,0,0,0|1,0,1]=4 1101 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)C 34a_100009816818_100000210624 [0,2,0,0,0,0|1,0,0]=3 1102 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)C 7a_100009816818_100000210760 [0,2,0,0,0,0|1,0,0]=3 1103 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)O 34a_100009816818_100011218427 [0,2,0,0,0,0|1,0,0]=3 1104 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(C)O 7a_100009816818_100011218427 [0,2,0,0,0,0|1,0,0]=3 1105 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(F)F 34a_100009816818_100011934356 [0,2,0,0,0,0|1,0,0]=3 1106 B16R1.20060 COc1cc(c(cc1Br)OC)OCC(F)F 7a_100009816818_100011934356 [0,2,0,0,0,0|1,0,0]=3 1107 B16R1.20060 COc1cc(c(cc1Br)OC)OC[C@@H](C)O 34a_100009816818_100009817552 [0,2,0,0,0,0|1,0,0]=3 1108 B16R1.20060 COc1cc(c(cc1Br)OC)OC[C@@H](C)O 7a_100009816818_100009817552 [0,2,0,0,0,0|1,0,0]=3 1109 B16R1.20060 COc1cc(c(cc1Br)OC)OC[N+](=O)[O-] 34a_100009816818_100000761209 [0,2,0,0,0,0|1,0,1]=4 1110 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)N 62a_100000747473_100013799044 [0,2,0,0,0,0|0,0,1]=3 1111 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)N 62a_100013799044_100000747473 [0,2,0,0,0,0|0,0,1]=3 1112 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)[O-] 62a_100013799044_100020667443 [0,2,0,0,0,0|1,0,1]=4 1113 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(=O)[O-] 62a_100020667443_100013799044 [0,2,0,0,0,0|1,0,1]=4 1114 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)C 62a_100000210624_100013799044 [0,2,0,0,0,0|1,0,0]=3 1115 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)C 62a_100013799044_100000210760 [0,2,0,0,0,0|1,0,0]=3 1116 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)O 62a_100011218427_100013799044 [0,2,0,0,0,0|1,0,0]=3 1117 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(C)O 62a_100013799044_100011218427 [0,2,0,0,0,0|1,0,0]=3 1118 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(F)F 62a_100011934356_100013799044 [0,2,0,0,0,0|1,0,0]=3 1119 B16R1.20060 COc1cc(c(cc1Br)OC)SCC(F)F 62a_100013799044_100011934356 [0,2,0,0,0,0|1,0,0]=3 1120 B16R1.20060 COc1cc(c(cc1Br)OC)SC[C@@H](C)O 62a_100009817552_100013799044 [0,2,0,0,0,0|1,0,0]=3 1121 B16R1.20060 COc1cc(c(cc1Br)OC)SC[C@@H](C)O 62a_100013799044_100009817552 [0,2,0,0,0,0|1,0,0]=3 1122 B16R1.20060 COc1cc(c(cc1Br)OC)SC[N+](=O)[O-] 62a_100013799044_100000761209 [0,2,0,0,0,0|1,0,1]=4 1123 B16R1.20060 COc1cc(c(cc1C)OC)CNC(C)C 207a_100138425928_100000079178 [0,2,0,0,0,0|2,0,0]=4 1124 B16R1.20060 COc1cc(c(cc1C)OC)COC(C)C 34a_200010309539_100000210206 [0,2,0,0,0,0|2,0,0]=4 1125 B16R1.20060 COc1cc(c(cc1C)OC)COC(C)C 7a_200010309539_100000210206 [0,2,0,0,0,0|2,0,0]=4 1126 B16R1.20060 COc1cc(c(cc1C)OC)SCC(=O)N 62a_100000039368_100000747473 [0,2,0,0,0,0|1,0,1]=4 1127 B16R1.20060 COc1cc(c(cc1C)OC)SCC(=O)N 62a_100000747473_100000039368 [0,2,0,0,0,0|1,0,1]=4 1128 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)C 62a_100000039368_100000210760 [0,2,0,0,0,0|2,0,0]=4 1129 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)C 62a_100000210624_100000039368 [0,2,0,0,0,0|2,0,0]=4 1130 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)O 62a_100000039368_100011218427 [0,2,0,0,0,0|2,0,0]=4 1131 B16R1.20060 COc1cc(c(cc1C)OC)SCC(C)O 62a_100011218427_100000039368 [0,2,0,0,0,0|2,0,0]=4 1132 B16R1.20060 COc1cc(c(cc1C)OC)SCC(F)F 62a_100000039368_100011934356 [0,2,0,0,0,0|2,0,0]=4 1133 B16R1.20060 COc1cc(c(cc1C)OC)SCC(F)F 62a_100011934356_100000039368 [0,2,0,0,0,0|2,0,0]=4 1134 B16R1.20060 COc1cc(c(cc1C)OC)SC[C@@H](C)O 62a_100000039368_100009817552 [0,2,0,0,0,0|2,0,0]=4 1135 B16R1.20060 COc1cc(c(cc1C)OC)SC[C@@H](C)O 62a_100009817552_100000039368 [0,2,0,0,0,0|2,0,0]=4 1136 B16R1.20060 COc1cc(c(cc1Cl)OC)CNC(C)C 207a_100138425928_100010168916 [0,2,0,0,0,0|1,1,0]=4 1137 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(=O)N 2230a_100000179761_100000747473 [0,2,0,0,0,0|0,1,1]=4 1138 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(=O)N 34a_100000179761_100000187820 [0,2,0,0,0,0|0,1,1]=4 1139 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)C 2230a_100000179761_100000210760 [0,2,0,0,0,0|1,1,0]=4 1140 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)C 34a_100000179761_100000210624 [0,2,0,0,0,0|1,1,0]=4 1141 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)O 2230a_100000179761_100011218427 [0,2,0,0,0,0|1,1,0]=4 1142 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(C)O 34a_100000179761_100011218427 [0,2,0,0,0,0|1,1,0]=4 1143 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(F)F 2230a_100000179761_100011934356 [0,2,0,0,0,0|1,1,0]=4 1144 B16R1.20060 COc1cc(c(cc1Cl)OC)NCC(F)F 34a_100000179761_100011934356 [0,2,0,0,0,0|1,1,0]=4 1145 B16R1.20060 COc1cc(c(cc1Cl)OC)NC[C@@H](C)O 2230a_100000179761_100009817552 [0,2,0,0,0,0|1,1,0]=4 1146 B16R1.20060 COc1cc(c(cc1Cl)OC)NC[C@@H](C)O 34a_100000179761_100009817552 [0,2,0,0,0,0|1,1,0]=4 1147 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(=O)N 62a_100000023288_100000747473 [0,2,0,0,0,0|0,1,1]=4 1148 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(=O)N 62a_100000747473_100000023288 [0,2,0,0,0,0|0,1,1]=4 1149 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)C 62a_100000023288_100000210760 [0,2,0,0,0,0|1,1,0]=4 1150 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)C 62a_100000210624_100000023288 [0,2,0,0,0,0|1,1,0]=4 1151 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)O 62a_100000023288_100011218427 [0,2,0,0,0,0|1,1,0]=4 1152 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(C)O 62a_100011218427_100000023288 [0,2,0,0,0,0|1,1,0]=4 1153 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(F)F 62a_100000023288_100011934356 [0,2,0,0,0,0|1,1,0]=4 1154 B16R1.20060 COc1cc(c(cc1Cl)OC)SCC(F)F 62a_100011934356_100000023288 [0,2,0,0,0,0|1,1,0]=4 1155 B16R1.20060 COc1cc(c(cc1Cl)OC)SC[C@@H](C)O 62a_100000023288_100009817552 [0,2,0,0,0,0|1,1,0]=4 1156 B16R1.20060 COc1cc(c(cc1Cl)OC)SC[C@@H](C)O 62a_100009817552_100000023288 [0,2,0,0,0,0|1,1,0]=4 1157 B16R1.20060 COc1cc(c(cc1I)OC)CNC(C)C 207a_100138425928_200010262236 [0,2,0,0,0,0|1,1,0]=4 1158 B16R1.29870 C#CCCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000688953 [0,2,0,0,0,0|1,1,0]=4 1159 B16R1.29870 C#CCCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000688953 [0,2,0,0,0,0|1,1,0]=4 1160 B16R1.29870 C#CCCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000688953 [0,2,0,0,0,0|1,0,0]=3 1161 B16R1.29870 C#CCCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000688953 [0,2,0,0,0,0|1,0,0]=3 1162 B16R1.29870 C#CCCSc1cc(c(cc1OC)Br)OC 62a_100000688953_100013799044 [0,2,0,0,0,0|1,0,0]=3 1163 B16R1.29870 C#CCCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000688953 [0,2,0,0,0,0|1,0,0]=3 1164 B16R1.29870 C#CCCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000688953 [0,2,0,0,0,0|2,0,0]=4 1165 B16R1.29870 C#CCCSc1cc(c(cc1OC)C)OC 62a_100000688953_100000039368 [0,2,0,0,0,0|2,0,0]=4 1166 B16R1.29870 C#CCCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000688953 [0,2,0,0,0,0|1,1,0]=4 1167 B16R1.29870 C#CCCSc1cc(c(cc1OC)Cl)OC 62a_100000688953_100000023288 [0,2,0,0,0,0|1,1,0]=4 1168 B16R1.29870 C#CCOCc1cc(c(cc1OC)C)OC 34a_200010309539_100000184674 [0,2,0,0,0,0|2,0,0]=4 1169 B16R1.29870 C#CCOCc1cc(c(cc1OC)C)OC 7a_200010309539_100000038162 [0,2,0,0,0,0|2,0,0]=4 1170 B16R1.29870 C/C=C/COc1cc(c(cc1OC)Br)OC 34a_100009816818_100102629194 [0,2,0,0,0,0|1,0,1]=4 1171 B16R1.29870 C/C=C/COc1cc(c(cc1OC)Br)OC 7a_100009816818_100102629194 [0,2,0,0,0,0|1,0,1]=4 1172 B16R1.29870 C/C=C/CSc1cc(c(cc1OC)Br)OC 62a_100013799044_100102629194 [0,2,0,0,0,0|1,0,1]=4 1173 B16R1.29870 C/C=C/CSc1cc(c(cc1OC)Br)OC 62a_100102629194_100013799044 [0,2,0,0,0,0|1,0,1]=4 1174 B16R1.29870 C=CCCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000754431 [0,2,0,0,0,0|1,1,0]=4 1175 B16R1.29870 C=CCCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000754431 [0,2,0,0,0,0|1,1,0]=4 1176 B16R1.29870 C=CCCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000754431 [0,2,0,0,0,0|1,0,0]=3 1177 B16R1.29870 C=CCCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000754431 [0,2,0,0,0,0|1,0,0]=3 1178 B16R1.29870 C=CCCSc1cc(c(cc1OC)Br)OC 62a_100000754431_100013799044 [0,2,0,0,0,0|1,0,0]=3 1179 B16R1.29870 C=CCCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000754431 [0,2,0,0,0,0|1,0,0]=3 1180 B16R1.29870 C=CCCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000754431 [0,2,0,0,0,0|2,0,0]=4 1181 B16R1.29870 C=CCCSc1cc(c(cc1OC)C)OC 62a_100000754431_100000039368 [0,2,0,0,0,0|2,0,0]=4 1182 B16R1.29870 C=CCCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000754431 [0,2,0,0,0,0|1,1,0]=4 1183 B16R1.29870 C=CCCSc1cc(c(cc1OC)Cl)OC 62a_100000754431_100000023288 [0,2,0,0,0,0|1,1,0]=4 1184 B16R1.29870 C=CCNCc1cc(c(cc1OC)Br)OC 270004a_100020586998_100000188581 [0,2,0,0,0,0|1,0,0]=3 1185 B16R1.29870 C=CCNCc1cc(c(cc1OC)C)OC 270004a_100020586998_100000079178 [0,2,0,0,0,0|2,0,0]=4 1186 B16R1.29870 C=CCNCc1cc(c(cc1OC)Cl)OC 270004a_100020586998_100010168916 [0,2,0,0,0,0|1,1,0]=4 1187 B16R1.29870 C=CCNCc1cc(c(cc1OC)I)OC 270004a_100020586998_200010262236 [0,2,0,0,0,0|1,1,0]=4 1188 B16R1.29870 C=CCOCc1cc(c(cc1OC)C)OC 34a_200010309539_100015514636 [0,2,0,0,0,0|2,0,0]=4 1189 B16R1.29870 C=CCOCc1cc(c(cc1OC)C)OC 7a_200010309539_100015514636 [0,2,0,0,0,0|2,0,0]=4 1190 B16R1.29870 CC#CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000748600 [0,2,0,0,0,0|1,0,1]=4 1191 B16R1.29870 CC#CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000748600 [0,2,0,0,0,0|1,0,1]=4 1192 B16R1.29870 CC#CCSc1cc(c(cc1OC)Br)OC 62a_100000748600_100013799044 [0,2,0,0,0,0|1,0,1]=4 1193 B16R1.29870 CC#CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000748600 [0,2,0,0,0,0|1,0,1]=4 1194 B16R1.29870 CC=CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000070051 [0,2,0,0,0,0|1,0,1]=4 1195 B16R1.29870 CC=CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000070051 [0,2,0,0,0,0|1,0,1]=4 1196 B16R1.29870 CC=CCSc1cc(c(cc1OC)Br)OC 62a_100000070051_100013799044 [0,2,0,0,0,0|1,0,1]=4 1197 B16R1.29870 CC=CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000070051 [0,2,0,0,0,0|1,0,1]=4 1198 B16R1.29870 CCCC=Cc1cc(c(cc1OC)Br)OC 271570a_100016258520_100013799044 [0,2,0,0,0,0|1,0,0]=3 1199 B16R1.29870 CCCC=Cc1cc(c(cc1OC)C)OC 271570a_100016258520_100000039368 [0,2,0,0,0,0|2,0,0]=4 1200 B16R1.29870 CCCC=Cc1cc(c(cc1OC)Cl)OC 271570a_100016258520_100000023288 [0,2,0,0,0,0|1,1,0]=4 1201 B16R1.29870 CCCC=Cc1cc(c(cc1OC)O)OC 271570a_100016258520_100009816818 [0,2,0,0,0,0|2,0,0]=4 1202 B16R1.29870 CCCCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210211 [0,2,0,0,0,0|1,1,0]=4 1203 B16R1.29870 CCCCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210210 [0,2,0,0,0,0|1,1,0]=4 1204 B16R1.29870 CCCCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210210 [0,2,0,0,0,0|1,0,0]=3 1205 B16R1.29870 CCCCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210211 [0,2,0,0,0,0|1,0,0]=3 1206 B16R1.29870 CCCCSc1cc(c(cc1OC)Br)OC 62a_100000210211_100013799044 [0,2,0,0,0,0|1,0,0]=3 1207 B16R1.29870 CCCCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210210 [0,2,0,0,0,0|1,0,0]=3 1208 B16R1.29870 CCCCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210210 [0,2,0,0,0,0|2,0,0]=4 1209 B16R1.29870 CCCCSc1cc(c(cc1OC)C)OC 62a_100000210211_100000039368 [0,2,0,0,0,0|2,0,0]=4 1210 B16R1.29870 CCCCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210210 [0,2,0,0,0,0|1,1,0]=4 1211 B16R1.29870 CCCCSc1cc(c(cc1OC)Cl)OC 62a_100000210211_100000023288 [0,2,0,0,0,0|1,1,0]=4 1212 B16R1.29870 CCCNCc1cc(c(cc1OC)Br)OC 207a_100020643023_100000188581 [0,2,0,0,0,0|1,0,0]=3 1213 B16R1.29870 CCCNCc1cc(c(cc1OC)Br)OC 270004a_100020643023_100000188581 [0,2,0,0,0,0|1,0,0]=3 1214 B16R1.29870 CCCNCc1cc(c(cc1OC)C)OC 207a_100020643023_100000079178 [0,2,0,0,0,0|2,0,0]=4 1215 B16R1.29870 CCCNCc1cc(c(cc1OC)C)OC 270004a_100020643023_100000079178 [0,2,0,0,0,0|2,0,0]=4 1216 B16R1.29870 CCCNCc1cc(c(cc1OC)Cl)OC 207a_100020643023_100010168916 [0,2,0,0,0,0|1,1,0]=4 1217 B16R1.29870 CCCNCc1cc(c(cc1OC)Cl)OC 270004a_100020643023_100010168916 [0,2,0,0,0,0|1,1,0]=4 1218 B16R1.29870 CCCNCc1cc(c(cc1OC)I)OC 207a_100020643023_200010262236 [0,2,0,0,0,0|1,1,0]=4 1219 B16R1.29870 CCCNCc1cc(c(cc1OC)I)OC 270004a_100020643023_200010262236 [0,2,0,0,0,0|1,1,0]=4 1220 B16R1.29870 CCCOCc1cc(c(cc1OC)C)OC 34a_200010309539_100000210303 [0,2,0,0,0,0|2,0,0]=4 1221 B16R1.29870 CCCOCc1cc(c(cc1OC)C)OC 7a_200010309539_100000210303 [0,2,0,0,0,0|2,0,0]=4 1222 B16R1.29870 CCNN=Cc1cc(c(cc1OC)Br)OC 4a_100000756455_100000188581 [0,2,0,0,0,0|1,0,1]=4 1223 B16R1.29870 CCOC=Cc1cc(c(cc1OC)Br)OC 271570a_100016256518_100013799044 [0,2,0,0,0,0|1,0,1]=4 1224 B16R1.29870 CCOCSc1cc(c(cc1OC)Br)OC 62a_100000739092_100013799044 [0,2,0,0,0,0|1,0,0]=3 1225 B16R1.29870 CCOCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000739092 [0,2,0,0,0,0|1,0,0]=3 1226 B16R1.29870 CCOCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000739092 [0,2,0,0,0,0|2,0,0]=4 1227 B16R1.29870 CCOCSc1cc(c(cc1OC)C)OC 62a_100000739092_100000039368 [0,2,0,0,0,0|2,0,0]=4 1228 B16R1.29870 CCOCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000739092 [0,2,0,0,0,0|1,1,0]=4 1229 B16R1.29870 CCOCSc1cc(c(cc1OC)Cl)OC 62a_100000739092_100000023288 [0,2,0,0,0,0|1,1,0]=4 1230 B16R1.29870 COCC=Cc1cc(c(cc1OC)Br)OC 271570a_100016286323_100013799044 [0,2,0,0,0,0|1,0,1]=4 1231 B16R1.29870 COCCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100011201679 [0,2,0,0,0,0|1,1,0]=4 1232 B16R1.29870 COCCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100011201679 [0,2,0,0,0,0|1,1,0]=4 1233 B16R1.29870 COCCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100011201679 [0,2,0,0,0,0|1,0,0]=3 1234 B16R1.29870 COCCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000233755 [0,2,0,0,0,0|1,0,0]=3 1235 B16R1.29870 COCCSc1cc(c(cc1OC)Br)OC 62a_100000233755_100013799044 [0,2,0,0,0,0|1,0,0]=3 1236 B16R1.29870 COCCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000233755 [0,2,0,0,0,0|1,0,0]=3 1237 B16R1.29870 COCCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000233755 [0,2,0,0,0,0|2,0,0]=4 1238 B16R1.29870 COCCSc1cc(c(cc1OC)C)OC 62a_100000233755_100000039368 [0,2,0,0,0,0|2,0,0]=4 1239 B16R1.29870 COCCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000233755 [0,2,0,0,0,0|1,1,0]=4 1240 B16R1.29870 COCCSc1cc(c(cc1OC)Cl)OC 62a_100000233755_100000023288 [0,2,0,0,0,0|1,1,0]=4 1241 B16R1.29870 COc1cc(c(cc1Br)OC)CNCCO 207a_100000210304_100000188581 [0,2,0,0,0,0|1,0,0]=3 1242 B16R1.29870 COc1cc(c(cc1Br)OC)CNCCO 270004a_100000210304_100000188581 [0,2,0,0,0,0|1,0,0]=3 1243 B16R1.29870 COc1cc(c(cc1Br)OC)OCCC#N 7a_100009816818_100000184422 [0,2,0,0,0,0|0,0,1]=3 1244 B16R1.29870 COc1cc(c(cc1Br)OC)OCCCF 34a_100009816818_100011934791 [0,2,0,0,0,0|1,0,0]=3 1245 B16R1.29870 COc1cc(c(cc1Br)OC)OCCCF 7a_100009816818_100011934791 [0,2,0,0,0,0|1,0,0]=3 1246 B16R1.29870 COc1cc(c(cc1Br)OC)OCCCO 34a_100009816818_100000230001 [0,2,0,0,0,0|1,0,0]=3 1247 B16R1.29870 COc1cc(c(cc1Br)OC)OCCCO 7a_100009816818_100011215043 [0,2,0,0,0,0|1,0,0]=3 1248 B16R1.29870 COc1cc(c(cc1Br)OC)OCCSC 34a_100009816818_100000212216 [0,2,0,0,0,0|1,0,0]=3 1249 B16R1.29870 COc1cc(c(cc1Br)OC)OCCSC 7a_100009816818_100000212216 [0,2,0,0,0,0|1,0,0]=3 1250 B16R1.29870 COc1cc(c(cc1Br)OC)SCCC#N 62a_100011215226_100013799044 [0,2,0,0,0,0|0,0,1]=3 1251 B16R1.29870 COc1cc(c(cc1Br)OC)SCCC#N 62a_100013799044_100011215226 [0,2,0,0,0,0|0,0,1]=3 1252 B16R1.29870 COc1cc(c(cc1Br)OC)SCCCF 62a_100011934791_100013799044 [0,2,0,0,0,0|1,0,0]=3 1253 B16R1.29870 COc1cc(c(cc1Br)OC)SCCCF 62a_100013799044_100011934791 [0,2,0,0,0,0|1,0,0]=3 1254 B16R1.29870 COc1cc(c(cc1Br)OC)SCCCO 62a_100011215043_100013799044 [0,2,0,0,0,0|1,0,0]=3 1255 B16R1.29870 COc1cc(c(cc1Br)OC)SCCCO 62a_100013799044_100011215043 [0,2,0,0,0,0|1,0,0]=3 1256 B16R1.29870 COc1cc(c(cc1Br)OC)SCCSC 62a_100000212216_100013799044 [0,2,0,0,0,0|1,0,0]=3 1257 B16R1.29870 COc1cc(c(cc1Br)OC)SCCSC 62a_100013799044_100000751147 [0,2,0,0,0,0|1,0,0]=3 1258 B16R1.29870 COc1cc(c(cc1Br)OC)SCSC#N 62a_100000211825_100013799044 [0,2,0,0,0,0|0,0,2]=4 1259 B16R1.29870 COc1cc(c(cc1Br)OC)SCSC#N 62a_100013799044_100000211825 [0,2,0,0,0,0|0,0,2]=4 1260 B16R1.29870 COc1cc(c(cc1C)OC)CNCCO 207a_100000210304_100000079178 [0,2,0,0,0,0|2,0,0]=4 1261 B16R1.29870 COc1cc(c(cc1C)OC)CNCCO 270004a_100000210304_100000079178 [0,2,0,0,0,0|2,0,0]=4 1262 B16R1.29870 COc1cc(c(cc1C)OC)COCC#N 7a_200010309539_100011215382 [0,2,0,0,0,0|1,0,1]=4 1263 B16R1.29870 COc1cc(c(cc1C)OC)COCC=O 34a_200010309539_200009817547 [0,2,0,0,0,0|2,0,0]=4 1264 B16R1.29870 COc1cc(c(cc1C)OC)COCC=O 7a_200010309539_200015260668 [0,2,0,0,0,0|2,0,0]=4 1265 B16R1.29870 COc1cc(c(cc1C)OC)COCCF 34a_200010309539_100011217306 [0,2,0,0,0,0|2,0,0]=4 1266 B16R1.29870 COc1cc(c(cc1C)OC)COCCF 7a_200010309539_100011217306 [0,2,0,0,0,0|2,0,0]=4 1267 B16R1.29870 COc1cc(c(cc1C)OC)COCCO 34a_200010309539_100000211926 [0,2,0,0,0,0|2,0,0]=4 1268 B16R1.29870 COc1cc(c(cc1C)OC)COCCO 7a_200010309539_100000211926 [0,2,0,0,0,0|2,0,0]=4 1269 B16R1.29870 COc1cc(c(cc1C)OC)COCSC 34a_200010309539_100011218213 [0,2,0,0,0,0|2,0,0]=4 1270 B16R1.29870 COc1cc(c(cc1C)OC)SCCC#N 62a_100000039368_100011215226 [0,2,0,0,0,0|1,0,1]=4 1271 B16R1.29870 COc1cc(c(cc1C)OC)SCCC#N 62a_100011215226_100000039368 [0,2,0,0,0,0|1,0,1]=4 1272 B16R1.29870 COc1cc(c(cc1C)OC)SCCCF 62a_100000039368_100011934791 [0,2,0,0,0,0|2,0,0]=4 1273 B16R1.29870 COc1cc(c(cc1C)OC)SCCCF 62a_100011934791_100000039368 [0,2,0,0,0,0|2,0,0]=4 1274 B16R1.29870 COc1cc(c(cc1C)OC)SCCCO 62a_100000039368_100011215043 [0,2,0,0,0,0|2,0,0]=4 1275 B16R1.29870 COc1cc(c(cc1C)OC)SCCCO 62a_100011215043_100000039368 [0,2,0,0,0,0|2,0,0]=4 1276 B16R1.29870 COc1cc(c(cc1C)OC)SCCSC 62a_100000039368_100000751147 [0,2,0,0,0,0|2,0,0]=4 1277 B16R1.29870 COc1cc(c(cc1C)OC)SCCSC 62a_100000212216_100000039368 [0,2,0,0,0,0|2,0,0]=4 1278 B16R1.29870 COc1cc(c(cc1Cl)OC)CNCCO 207a_100000210304_100010168916 [0,2,0,0,0,0|1,1,0]=4 1279 B16R1.29870 COc1cc(c(cc1Cl)OC)CNCCO 270004a_100000210304_100010168916 [0,2,0,0,0,0|1,1,0]=4 1280 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCC#N 2230a_100000179761_100011215226 [0,2,0,0,0,0|0,1,1]=4 1281 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCCF 2230a_100000179761_100011934791 [0,2,0,0,0,0|1,1,0]=4 1282 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCCF 34a_100000179761_100011934791 [0,2,0,0,0,0|1,1,0]=4 1283 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCCO 2230a_100000179761_100000230001 [0,2,0,0,0,0|1,1,0]=4 1284 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCCO 34a_100000179761_100000230001 [0,2,0,0,0,0|1,1,0]=4 1285 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCSC 2230a_100000179761_100000751147 [0,2,0,0,0,0|1,1,0]=4 1286 B16R1.29870 COc1cc(c(cc1Cl)OC)NCCSC 34a_100000179761_100000212216 [0,2,0,0,0,0|1,1,0]=4 1287 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCC#N 62a_100000023288_100011215226 [0,2,0,0,0,0|0,1,1]=4 1288 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCC#N 62a_100011215226_100000023288 [0,2,0,0,0,0|0,1,1]=4 1289 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCCF 62a_100000023288_100011934791 [0,2,0,0,0,0|1,1,0]=4 1290 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCCF 62a_100011934791_100000023288 [0,2,0,0,0,0|1,1,0]=4 1291 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCCO 62a_100000023288_100011215043 [0,2,0,0,0,0|1,1,0]=4 1292 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCCO 62a_100011215043_100000023288 [0,2,0,0,0,0|1,1,0]=4 1293 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCSC 62a_100000023288_100000751147 [0,2,0,0,0,0|1,1,0]=4 1294 B16R1.29870 COc1cc(c(cc1Cl)OC)SCCSC 62a_100000212216_100000023288 [0,2,0,0,0,0|1,1,0]=4 1295 B16R1.29870 COc1cc(c(cc1I)OC)CNCCO 207a_100000210304_200010262236 [0,2,0,0,0,0|1,1,0]=4 1296 B16R1.29870 COc1cc(c(cc1I)OC)CNCCO 270004a_100000210304_200010262236 [0,2,0,0,0,0|1,1,0]=4 1297 B14R2.134 COc1ccc2c(c1)C[C@@H](CC2)N 34a_100015730448_200000210301 [1,0,0,1,0,0|1,0,0]=3 1298 B14R2.134 [13CH3]Oc1ccc2c(c1)C[C@@H](CC2)N 34a_100015730448_200025704644 [1,0,0,1,0,0|1,0,0]=3 1299 B14R2.1747 COc1ccc(c2c1CCC2)OC 34a_100000041694_200000210301 [1,0,0,1,0,0|1,0,0]=3 1300 B14R2.1747 COc1ccc(c2c1CCC2)OC 7a_100000041694_200000210301 [1,0,0,1,0,0|1,0,0]=3 1301 B14R2.1747 COc1ccc(c2c1CCC2)O[13CH3] 34a_100000041694_200025704644 [1,0,0,1,0,0|1,0,0]=3 1302 B14R2.1747 COc1ccc(c2c1CCC2)O[13CH3] 7a_100000041694_200025704644 [1,0,0,1,0,0|1,0,0]=3 1303 B14R2.1801 COc1ccc2c(c1)CCNC2=O 34a_100000087030_200000210301 [1,0,0,1,0,0|2,0,0]=4 1304 B14R2.1801 COc1ccc2c(c1)CCNC2=O 7a_100000087030_200000210301 [1,0,0,1,0,0|2,0,0]=4 1305 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 34a_100000087030_200025704644 [1,0,0,1,0,0|2,0,0]=4 1306 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 7a_100000087030_200025704644 [1,0,0,1,0,0|2,0,0]=4 1307 B14R2.3519 CCc1ccc(c(c1)C2CC2)OC 271570a_100011220607_100010062400 [1,0,0,1,0,0|2,0,0]=4 1308 B14R2.3519 CNc1ccc(c(c1)C2CC2)OC 271570a_100011220607_114948341033 [1,0,0,1,0,0|2,0,0]=4 1309 B14R2.3519 COc1ccc(c(c1)C2CC2)OC 271570a_100011220607_100011215452 [1,0,0,1,0,0|1,0,0]=3 1310 B14R2.82 CNc1cc2c(cc1OC)OCO2 2230a_200000088178_200000210301 [1,0,0,1,0,0|2,0,0]=4 1311 B14R2.82 CNc1cc2c(cc1OC)OCO2 34a_200000088178_200000210301 [1,0,0,1,0,0|2,0,0]=4 1312 B14R2.82 COc1cc2c(cc1N[13CH3])OCO2 2230a_200000088178_200025704644 [1,0,0,1,0,0|2,0,0]=4 1313 B14R2.82 COc1cc2c(cc1N[13CH3])OCO2 34a_200000088178_200025704644 [1,0,0,1,0,0|2,0,0]=4 1314 B14R2.82 CSc1cc2c(cc1CN)OCO2 62a_200011199097_200000210301 [1,0,0,1,0,0|1,1,0]=4 1315 B14R2.82 [13CH3]Sc1cc2c(cc1CN)OCO2 62a_200011199097_200025704644 [1,0,0,1,0,0|1,1,0]=4 1316 B14R2.2293 COc1cc(c(cc1C2CC2)C)F 271570a_100011220607_100010201977 [1,0,0,1,0,0|1,1,0]=4 1317 B14R2.2293 COc1cc(c(cc1C2CC2)C)N 271570a_100011220607_100010232211 [1,0,0,1,0,0|2,0,0]=4 1318 B14R2.2292 COc1cc(c(cc1Br)Br)C2CC2 271570a_100011220607_200014006352 [1,0,0,1,0,0|2,0,0]=4 1319 B14R2.2292 COc1cc(c(cc1F)C)C2CC2 271570a_100011220607_100011009880 [1,0,0,1,0,0|1,1,0]=4 1320 B14R2.2292 COc1cc(c(cc1N)C)C2CC2 271570a_100011220607_100010141321 [1,0,0,1,0,0|2,0,0]=4 1321 B16R2.41793 COc1cc(c(cc1Br)OC)OC2CC2 34a_100009816818_100000211595 [0,1,0,1,0,0|1,0,0]=3 1322 B16R2.41793 COc1cc(c(cc1Br)OC)SC2CC2 62a_100013799044_100000211595 [0,1,0,1,0,0|1,0,0]=3 1323 B16R2.41793 COc1cc(c(cc1C)OC)SC2CC2 62a_100000039368_100000211595 [0,1,0,1,0,0|2,0,0]=4 1324 B16R2.41793 COc1cc(c(cc1Cl)OC)NC2CC2 34a_100000179761_100000211595 [0,1,0,1,0,0|1,1,0]=4 1325 B16R2.41793 COc1cc(c(cc1Cl)OC)SC2CC2 62a_100000023288_100000211595 [0,1,0,1,0,0|1,1,0]=4 1326 B16R2.189529 CNC1CCCc2c1cc(c(c2)OC)Br 269862a_106832991636_100010011101 [0,1,0,1,0,0|2,0,0]=4 1327 B16R2.202639 COc1cc(c(cc1C=O)OC)C2CC2 271570a_100011220607_100000188581 [0,1,0,1,0,0|2,0,0]=4 1328 B16R2.202639 COc1cc(c(cc1OC)C2CC2)OC 271570a_100011220607_100000050122 [0,1,0,1,0,0|2,0,0]=4 1329 B16R2.2937 CCCNc1cc2c(cc1OC)OCO2 2230a_200000088178_100000210303 [0,1,0,1,0,0|2,0,0]=4 1330 B16R2.2937 CCCNc1cc2c(cc1OC)OCO2 34a_200000088178_100000210303 [0,1,0,1,0,0|2,0,0]=4 1331 B16R2.2937 CCNCc1cc2c(cc1OC)OCO2 207a_100015525214_100000186743 [0,1,0,1,0,0|2,0,0]=4 1332 B16R2.2937 CCNCc1cc2c(cc1OC)OCO2 270004a_100015525214_100000186743 [0,1,0,1,0,0|2,0,0]=4 1333 B16R2.2937 COc1cc2c(cc1NCCF)OCO2 2230a_200000088178_100011217306 [0,1,0,1,0,0|2,0,0]=4 1334 B16R2.2937 COc1cc2c(cc1NCCF)OCO2 34a_200000088178_100011217306 [0,1,0,1,0,0|2,0,0]=4 1335 B16R2.2937 COc1cc2c(cc1NCCO)OCO2 2230a_200000088178_100000211926 [0,1,0,1,0,0|2,0,0]=4 1336 B16R2.2937 COc1cc2c(cc1NCCO)OCO2 34a_200000088178_100000211926 [0,1,0,1,0,0|2,0,0]=4 1337 B16R2.107616 CCNC1CCc2c1cc(c(c2)Br)OC 269862a_100015525214_100010233615 [0,1,0,1,0,0|2,0,0]=4 1338 B14R1.14884 CCOc1c(cc(cc1OC)Br)OC 34a_100000691893_100000210202 [0,0,0,0,1,1|2,0,0]=4 1339 B14R1.14884 CNCc1c(cc(cc1OC)Br)OC 207a_100102657272_100010380724 [0,0,0,0,1,1|2,0,0]=4 1340 B14R1.14884 CNCc1c(cc(cc1OC)Br)OC 26a_100102657272_100000691893 [0,0,0,0,1,1|2,0,0]=4 1341 B14R1.14884 CNCc1c(cc(cc1OC)Br)OC 270004a_106832991635_100010380724 [0,0,0,0,1,1|2,0,0]=4 1342 B14R1.14884 COc1cc(cc(c1OCF)OC)Br 34a_100000691893_100015361967 [0,0,0,0,1,1|2,0,0]=4