0 B14R1.2315 CCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000210202 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000210202 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000204670 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.2315 CCN(C)c1cc(ccc1OC)OC 34a_100000221073_100000210202 [0,0,0,0,0,0|3,0,0]=3 4 B14R1.2315 CCc1ccc(c(c1)C(C)NC)OC 269862a_106832991636_200000080740 [0,0,0,0,0,0|4,0,0]=4 5 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 11a_106832991635_100000185243 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 1626a_100102657272_100000185243 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 240690a_100102657272_100000185243 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 527a_100102657272_100000185243 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.2315 CNC(C)c1cc(ccc1OC)OC 2230a_100000203798_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.2315 CNC(C)c1cc(ccc1OC)OC 269862a_106832991636_100000211297 [0,0,0,0,0,0|3,0,0]=3 11 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 34a_100000151008_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 7a_100000151008_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 34a_100000151008_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 7a_100000151008_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)OC 7a_100010402061_200000210301 [0,0,0,0,0,0|1,0,2]=3 16 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)O[13CH3] 7a_100010402061_200025704644 [0,0,0,0,0,0|1,0,2]=3 17 B14R1.2315 COc1ccc(c(c1)C(=O)CF)OC 1458a_100000185243_100015361967 [0,0,0,0,0,0|1,0,2]=3 18 B14R1.2315 COc1ccc(c(c1)C(=O)NN)SC 62a_100000189949_200000210301 [0,0,0,0,0,0|1,1,2]=4 19 B14R1.2315 COc1ccc(c(c1)C(=O)NN)SC 62a_200000210301_100000189949 [0,0,0,0,0,0|1,1,2]=4 20 B14R1.2315 COc1ccc(c(c1)C(=O)NN)S[13CH3] 62a_100000189949_200025704644 [0,0,0,0,0,0|1,1,2]=4 21 B14R1.2315 COc1ccc(c(c1)C(=O)NN)S[13CH3] 62a_200025704644_100000189949 [0,0,0,0,0,0|1,1,2]=4 22 B14R1.2315 COc1ccc(c(c1)C(C)N[13CH3])OC 2230a_100000203798_200025704644 [0,0,0,0,0,0|3,0,0]=3 23 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 34a_100000246477_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 7a_100000246477_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 34a_100000246477_200025704644 [0,0,0,0,0,0|3,0,0]=3 26 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 7a_100000246477_200025704644 [0,0,0,0,0,0|3,0,0]=3 27 B14R1.2315 COc1ccc(c(c1)N(C)CF)OC 269982a_100000221073_100015361967 [0,0,0,0,0,0|3,0,0]=3 28 B14R1.2315 COc1ccc(c(c1)N(C)CF)OC 34a_100000221073_100015361967 [0,0,0,0,0,0|3,0,0]=3 29 B13R1.355 C=C=Cc1cc(ccc1OC)OC 271570a_100015277604_100011215452 [1,0,0,0,0,0|1,0,2]=4 30 B13R1.355 C=CCc1cc(ccc1OC)OC 7a_200000185190_200000210301 [1,0,0,0,0,0|1,0,1]=3 31 B13R1.355 C=CCc1cc(ccc1O[13CH3])OC 7a_200000185190_200025704644 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [1,0,0,0,0,0|1,0,1]=3 33 B13R1.355 C=Cc1ccc(cc1CCO)OC 271570a_100011290941_100012259501 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [1,0,0,0,0,0|1,0,2]=4 35 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [1,0,0,0,0,0|3,0,0]=4 37 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [1,0,0,0,0,0|2,0,0]=3 39 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [1,0,0,0,0,0|3,0,0]=4 45 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [1,0,0,0,0,0|3,0,0]=4 46 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [1,0,0,0,0,0|2,0,0]=3 47 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [1,0,0,0,0,0|2,0,0]=3 48 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [1,0,0,0,0,0|3,0,0]=4 51 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [1,0,0,0,0,0|3,0,0]=4 52 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [1,0,0,0,0,0|3,0,0]=4 53 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [1,0,0,0,0,0|3,0,0]=4 54 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.355 CNCc1cc(ccc1OC)OC 207a_100102657272_100000170336 [1,0,0,0,0,0|2,0,0]=3 57 B13R1.355 CNCc1cc(ccc1OC)OC 26a_100102657272_100000074795 [1,0,0,0,0,0|2,0,0]=3 58 B13R1.355 CNCc1cc(ccc1OC)OC 270004a_106832991635_100000170336 [1,0,0,0,0,0|2,0,0]=3 59 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100000185951_200000210301 [1,0,0,0,0,0|2,0,0]=3 60 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100102657272_100011233847 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.355 CNCc1cc(ccc1OC)OC 7a_106832991635_100000205131 [1,0,0,0,0,0|2,0,0]=3 62 B13R1.355 CNCc1cc(ccc1OC)SC 62a_100000690607_200000210301 [1,0,0,0,0,0|2,1,0]=4 63 B13R1.355 CNCc1cc(ccc1OC)SC 62a_200000210301_100000690607 [1,0,0,0,0,0|2,1,0]=4 64 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_100000690607_200025704644 [1,0,0,0,0,0|2,1,0]=4 65 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100000690607 [1,0,0,0,0,0|2,1,0]=4 66 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_100015361967_114948341033 [1,0,0,0,0,0|3,0,0]=4 67 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_114948341033_100015361967 [1,0,0,0,0,0|3,0,0]=4 68 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [1,0,0,0,0,0|2,0,0]=3 69 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [1,0,0,0,0,0|2,0,0]=3 70 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [1,0,0,0,0,0|2,1,0]=4 71 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [1,0,0,0,0,0|2,1,0]=4 72 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [1,0,0,0,0,0|2,1,0]=4 73 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [1,0,0,0,0,0|2,1,0]=4 74 B13R1.355 COc1ccc(c(c1)CC#N)SC 62a_100012259381_200000210301 [1,0,0,0,0,0|0,1,2]=4 75 B13R1.355 COc1ccc(c(c1)CC#N)SC 62a_200000210301_100012259381 [1,0,0,0,0,0|0,1,2]=4 76 B13R1.355 COc1ccc(c(c1)CC#N)S[13CH3] 62a_100012259381_200025704644 [1,0,0,0,0,0|0,1,2]=4 77 B13R1.355 COc1ccc(c(c1)CC#N)S[13CH3] 62a_200025704644_100012259381 [1,0,0,0,0,0|0,1,2]=4 78 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_100012259501_200000210301 [1,0,0,0,0,0|1,1,0]=3 79 B13R1.355 COc1ccc(c(c1)CCO)SC 62a_200000210301_100012259501 [1,0,0,0,0,0|1,1,0]=3 80 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_100012259501_200025704644 [1,0,0,0,0,0|1,1,0]=3 81 B13R1.355 COc1ccc(c(c1)CCO)S[13CH3] 62a_200025704644_100012259501 [1,0,0,0,0,0|1,1,0]=3 82 B13R1.355 COc1ccc(c(c1)CN[13CH3])OC 34a_100000185951_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_100000205131_200000210301 [1,0,0,0,0,0|2,0,0]=3 85 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_200000210301_100011233847 [1,0,0,0,0,0|2,0,0]=3 86 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_100000205131_200025704644 [1,0,0,0,0,0|2,0,0]=3 87 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_200025704644_100011233847 [1,0,0,0,0,0|2,0,0]=3 88 B13R1.355 COc1ccc(c(c1)NCF)OC 34a_100000184736_100015361967 [1,0,0,0,0,0|2,0,0]=3 89 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [1,0,0,0,0,0|2,0,0]=3 90 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100011215452_100015361967 [1,0,0,0,0,0|2,0,0]=3 91 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100015361967_100011215452 [1,0,0,0,0,0|2,0,0]=3 92 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200000210301_200011218486 [1,0,0,0,0,0|0,1,2]=4 93 B13R1.355 COc1ccc(cc1CC#N)SC 62a_200011218486_200000210301 [1,0,0,0,0,0|0,1,2]=4 94 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200011218486_200025704644 [1,0,0,0,0,0|0,1,2]=4 95 B13R1.355 COc1ccc(cc1CC#N)S[13CH3] 62a_200025704644_200011218486 [1,0,0,0,0,0|0,1,2]=4 96 B13R1.355 COc1ccc(cc1CCN)SC 62a_100000763266_200000210301 [1,0,0,0,0,0|0,1,0]=2 97 B13R1.355 COc1ccc(cc1CCN)SC 62a_200000210301_100000763266 [1,0,0,0,0,0|0,1,0]=2 98 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_100000763266_200025704644 [1,0,0,0,0,0|0,1,0]=2 99 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_200025704644_100000763266 [1,0,0,0,0,0|0,1,0]=2 100 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [1,0,0,0,0,0|1,0,2]=4 101 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [1,0,0,0,0,0|1,0,2]=4 102 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [1,0,0,0,0,0|1,0,2]=4 103 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [1,0,0,0,0,0|1,0,2]=4 104 B13R1.2209 CNC(C)c1cc(ccc1OC)C 269862a_106832991636_100000212259 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [1,0,0,0,0,0|1,0,2]=4 106 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [1,0,0,0,0,0|1,0,2]=4 107 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [1,0,0,0,0,0|1,0,2]=4 108 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [1,0,0,0,0,0|1,0,2]=4 109 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [1,0,0,0,0,0|2,0,1]=4 110 B13R1.2430 C=C(C)c1cc(ccc1OC)NC 271570a_100000694244_114948341033 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [1,0,0,0,0,0|1,0,1]=3 112 B13R1.2430 C=Cc1ccc(cc1[C@H](C)N)OC 271570a_100011290941_200015425320 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [1,0,0,0,0,0|1,0,2]=4 114 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [1,0,0,0,0,0|1,0,2]=4 115 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [1,0,0,0,0,0|1,0,2]=4 116 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [1,0,0,0,0,0|1,0,2]=4 117 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_200000210301 [1,0,0,0,0,0|1,0,2]=4 118 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_200000210301 [1,0,0,0,0,0|1,0,2]=4 119 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_200000210301 [1,0,0,0,0,0|2,0,0]=3 121 B13R1.2430 CNc1ccc(cc1C(=O)N)OC 34a_100011380456_200000210301 [1,0,0,0,0,0|1,0,2]=4 122 B13R1.2430 COc1ccc(c(c1)B(O)O)SC 62a_100009814730_200000210301 [1,0,0,0,0,0|2,1,0]=4 123 B13R1.2430 COc1ccc(c(c1)B(O)O)SC 62a_200000210301_100009814730 [1,0,0,0,0,0|2,1,0]=4 124 B13R1.2430 COc1ccc(c(c1)B(O)O)S[13CH3] 62a_100009814730_200025704644 [1,0,0,0,0,0|2,1,0]=4 125 B13R1.2430 COc1ccc(c(c1)B(O)O)S[13CH3] 62a_200025704644_100009814730 [1,0,0,0,0,0|2,1,0]=4 126 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [1,0,0,0,0,0|0,0,2]=3 127 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [1,0,0,0,0,0|0,0,2]=3 128 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [1,0,0,0,0,0|0,0,2]=3 129 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [1,0,0,0,0,0|0,0,2]=3 130 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [1,0,0,0,0,0|0,0,2]=3 131 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [1,0,0,0,0,0|0,0,2]=3 132 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [1,0,0,0,0,0|0,0,2]=3 133 B13R1.2430 COc1ccc(c(c1)C(=O)C)SC 62a_100011360761_200000210301 [1,0,0,0,0,0|0,1,2]=4 134 B13R1.2430 COc1ccc(c(c1)C(=O)C)S[13CH3] 62a_100011360761_200025704644 [1,0,0,0,0,0|0,1,2]=4 135 B13R1.2430 COc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011380456_200025704644 [1,0,0,0,0,0|1,0,2]=4 136 B13R1.2430 COc1ccc(c(c1)C(=O)N)SC 62a_100000162014_200000210301 [1,0,0,0,0,0|0,1,2]=4 137 B13R1.2430 COc1ccc(c(c1)C(=O)N)S[13CH3] 62a_100000162014_200025704644 [1,0,0,0,0,0|0,1,2]=4 138 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [1,0,0,0,0,0|0,0,2]=3 139 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 34a_100011998526_200000210301 [1,0,0,0,0,0|1,0,0]=2 140 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 7a_100011998526_200000210301 [1,0,0,0,0,0|1,0,0]=2 141 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 34a_100011998526_200025704644 [1,0,0,0,0,0|1,0,0]=2 142 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 7a_100011998526_200025704644 [1,0,0,0,0,0|1,0,0]=2 143 B13R1.2430 COc1ccc(c(c1)C(F)F)SC 62a_100010189949_200000210301 [1,0,0,0,0,0|2,1,0]=4 144 B13R1.2430 COc1ccc(c(c1)C(F)F)SC 62a_200000210301_100010189949 [1,0,0,0,0,0|2,1,0]=4 145 B13R1.2430 COc1ccc(c(c1)C(F)F)S[13CH3] 62a_100010189949_200025704644 [1,0,0,0,0,0|2,1,0]=4 146 B13R1.2430 COc1ccc(c(c1)C(F)F)S[13CH3] 62a_200025704644_100010189949 [1,0,0,0,0,0|2,1,0]=4 147 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 2230a_100000221073_200000210301 [1,0,0,0,0,0|2,0,0]=3 148 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 269982a_100000221073_200000210301 [1,0,0,0,0,0|2,0,0]=3 149 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 34a_100000221073_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 2230a_100000221073_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 269982a_100000221073_200025704644 [1,0,0,0,0,0|2,0,0]=3 152 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 34a_100000221073_200025704644 [1,0,0,0,0,0|2,0,0]=3 153 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200000210301_200015425320 [1,0,0,0,0,0|1,1,0]=3 154 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)SC 62a_200015425320_200000210301 [1,0,0,0,0,0|1,1,0]=3 155 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200015425320_200025704644 [1,0,0,0,0,0|1,1,0]=3 156 B13R1.2430 COc1ccc(c(c1)[C@H](C)N)S[13CH3] 62a_200025704644_200015425320 [1,0,0,0,0,0|1,1,0]=3 157 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000211607_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000716441_200000210301 [1,0,0,0,0,0|2,0,1]=4 159 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000211607_200000210301 [1,0,0,0,0,0|2,0,1]=4 160 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000716441_200000210301 [1,0,0,0,0,0|2,0,1]=4 161 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000211607_200025704644 [1,0,0,0,0,0|2,0,1]=4 162 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000211607_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B13R1.2430 COc1ccc(cc1B(O)O)SC 62a_100009813459_200000210301 [1,0,0,0,0,0|2,1,0]=4 164 B13R1.2430 COc1ccc(cc1B(O)O)S[13CH3] 62a_100009813459_200025704644 [1,0,0,0,0,0|2,1,0]=4 165 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [1,0,0,0,0,0|0,0,2]=3 166 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [1,0,0,0,0,0|0,0,2]=3 167 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [1,0,0,0,0,0|0,1,2]=4 168 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [1,0,0,0,0,0|0,1,2]=4 169 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 34a_200011413973_200025704644 [1,0,0,0,0,0|1,0,2]=4 170 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 7a_200011413973_200025704644 [1,0,0,0,0,0|1,0,2]=4 171 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 2230a_100025764739_200025704644 [1,0,0,0,0,0|2,0,0]=3 172 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 34a_100025764739_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B13R1.2430 COc1ccc(cc1C(F)F)SC 62a_100010146105_200000210301 [1,0,0,0,0,0|2,1,0]=4 174 B13R1.2430 COc1ccc(cc1C(F)F)SC 62a_200000210301_100010146105 [1,0,0,0,0,0|2,1,0]=4 175 B13R1.2430 COc1ccc(cc1C(F)F)S[13CH3] 62a_100010146105_200025704644 [1,0,0,0,0,0|2,1,0]=4 176 B13R1.2430 COc1ccc(cc1C(F)F)S[13CH3] 62a_200025704644_100010146105 [1,0,0,0,0,0|2,1,0]=4 177 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000716441_200025704644 [1,0,0,0,0,0|2,0,1]=4 178 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000716441_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B13R1.2431 CCC(=O)c1cc(ccc1C)OC 1458a_100011399813_100000210202 [1,0,0,0,0,0|1,0,2]=4 180 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [1,0,0,0,0,0|1,0,2]=4 181 B13R1.2431 CNC(C)c1cc(ccc1O)OC 269862a_106832991636_100000211518 [1,0,0,0,0,0|3,0,0]=4 182 B13R1.2431 COc1ccc(c(c1)C(=O)CF)C 1458a_100011399813_100015361967 [1,0,0,0,0,0|1,0,2]=4 183 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [1,0,0,0,0,0|1,0,2]=4 184 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [1,0,0,0,0,0|1,0,2]=4 185 B15R1.764 C#CCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000184674 [0,1,0,0,0,0|1,0,2]=4 186 B15R1.764 C#CCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000038162 [0,1,0,0,0,0|3,0,0]=4 187 B15R1.764 C#CCN(C)c1cc(ccc1OC)OC 34a_100000221073_100000184674 [0,1,0,0,0,0|3,0,0]=4 188 B15R1.764 C=CCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000210623 [0,1,0,0,0,0|1,0,2]=4 189 B15R1.764 C=CCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000210623 [0,1,0,0,0,0|3,0,0]=4 190 B15R1.764 C=CCN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000210623 [0,1,0,0,0,0|3,0,0]=4 191 B15R1.764 C=CCN(C)c1cc(ccc1OC)OC 34a_100000221073_100015514636 [0,1,0,0,0,0|3,0,0]=4 192 B15R1.764 CCCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000210303 [0,1,0,0,0,0|1,0,2]=4 193 B15R1.764 CCCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000210303 [0,1,0,0,0,0|3,0,0]=4 194 B15R1.764 CCCN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000210303 [0,1,0,0,0,0|3,0,0]=4 195 B15R1.764 CCCN(C)c1cc(ccc1OC)OC 34a_100000221073_100000210303 [0,1,0,0,0,0|3,0,0]=4 196 B15R1.764 CCNC(=O)c1cc(ccc1OC)OC 11a_100015525214_100000185243 [0,1,0,0,0,0|1,0,2]=4 197 B15R1.764 CCNC(=O)c1cc(ccc1OC)OC 240690a_100015525214_100000185243 [0,1,0,0,0,0|1,0,2]=4 198 B15R1.764 CCNC(=O)c1cc(ccc1OC)OC 527a_100015525214_100000185243 [0,1,0,0,0,0|1,0,2]=4 199 B15R1.764 CCNC(C)c1cc(ccc1OC)CC 269862a_100015525214_200000080740 [0,1,0,0,0,0|3,0,0]=4 200 B15R1.764 CCNC(C)c1cc(ccc1OC)OC 2230a_100000203798_100000210202 [0,1,0,0,0,0|2,0,0]=3 201 B15R1.764 CCNC(C)c1cc(ccc1OC)OC 269862a_100015525214_100000211297 [0,1,0,0,0,0|2,0,0]=3 202 B15R1.764 CCOC(=O)c1cc(ccc1OC)OC 7a_200011212540_200000210301 [0,1,0,0,0,0|1,0,2]=4 203 B15R1.764 CCOC(=O)c1cc(ccc1O[13CH3])OC 7a_200011212540_200025704644 [0,1,0,0,0,0|1,0,2]=4 204 B15R1.764 CCOC(C)c1cc(ccc1OC)OC 34a_100000246477_100000210202 [0,1,0,0,0,0|2,0,0]=3 205 B15R1.764 CCOC(C)c1cc(ccc1OC)OC 7a_100000246477_100000210202 [0,1,0,0,0,0|2,0,0]=3 206 B15R1.764 CNCC(=O)c1cc(ccc1OC)OC 34a_100102657272_100000212055 [0,1,0,0,0,0|0,0,2]=3 207 B15R1.764 CNCC(=O)c1cc(ccc1OC)OC 7a_106832991635_100000181217 [0,1,0,0,0,0|0,0,2]=3 208 B15R1.764 CNCC(O)c1cc(ccc1OC)OC 2230a_100000738559_200000210301 [0,1,0,0,0,0|0,0,0]=1 209 B15R1.764 CNNC(=O)c1cc(ccc1OC)OC 22a_100016993582_100000185243 [0,1,0,0,0,0|1,0,2]=4 210 B15R1.764 COCC(=O)c1cc(ccc1OC)OC 34a_100138415774_100000212055 [0,1,0,0,0,0|1,0,2]=4 211 B15R1.764 COCN(C)c1cc(ccc1OC)OC 2230a_100000221073_100000766300 [0,1,0,0,0,0|3,0,0]=4 212 B15R1.764 COCN(C)c1cc(ccc1OC)OC 269982a_100000221073_100000766300 [0,1,0,0,0,0|3,0,0]=4 213 B15R1.764 COc1ccc(c(c1)C(=O)CC#N)OC 1458a_100000185243_100011214920 [0,1,0,0,0,0|0,0,3]=4 214 B15R1.764 COc1ccc(c(c1)C(=O)CCF)OC 1458a_100000185243_100011217306 [0,1,0,0,0,0|1,0,2]=4 215 B15R1.764 COc1ccc(c(c1)C(=O)CCO)OC 1458a_100000185243_100000211926 [0,1,0,0,0,0|1,0,2]=4 216 B15R1.764 COc1ccc(c(c1)C(=O)CSC)OC 62a_100000181217_200000210301 [0,1,0,0,0,0|1,0,2]=4 217 B15R1.764 COc1ccc(c(c1)C(=O)CS[13CH3])OC 62a_100000181217_200025704644 [0,1,0,0,0,0|1,0,2]=4 218 B15R1.764 COc1ccc(c(c1)C(C)OCF)OC 34a_100000246477_100015361967 [0,1,0,0,0,0|2,0,0]=3 219 B15R1.764 COc1ccc(c(c1)C(C)OCF)OC 7a_100000246477_100015361967 [0,1,0,0,0,0|2,0,0]=3 220 B15R1.764 COc1ccc(c(c1)C(O)CN[13CH3])OC 2230a_100000738559_200025704644 [0,1,0,0,0,0|0,0,0]=1 221 B15R1.764 COc1ccc(c(c1)N(C)CC#N)OC 2230a_100000221073_100011215382 [0,1,0,0,0,0|2,0,1]=4 222 B15R1.764 COc1ccc(c(c1)N(C)CC#N)OC 269982a_100000221073_100011214920 [0,1,0,0,0,0|2,0,1]=4 223 B15R1.764 COc1ccc(c(c1)N(C)CC=O)OC 2230a_100000221073_200015260668 [0,1,0,0,0,0|3,0,0]=4 224 B15R1.764 COc1ccc(c(c1)N(C)CC=O)OC 269982a_100000221073_200015260668 [0,1,0,0,0,0|3,0,0]=4 225 B15R1.764 COc1ccc(c(c1)N(C)CC=O)OC 34a_100000221073_200009817547 [0,1,0,0,0,0|3,0,0]=4 226 B15R1.764 COc1ccc(c(c1)N(C)CCF)OC 2230a_100000221073_100011217306 [0,1,0,0,0,0|3,0,0]=4 227 B15R1.764 COc1ccc(c(c1)N(C)CCF)OC 269982a_100000221073_100011217306 [0,1,0,0,0,0|3,0,0]=4 228 B15R1.764 COc1ccc(c(c1)N(C)CCF)OC 34a_100000221073_100011217306 [0,1,0,0,0,0|3,0,0]=4 229 B15R1.764 COc1ccc(c(c1)N(C)CCO)OC 2230a_100000221073_100000211926 [0,1,0,0,0,0|3,0,0]=4 230 B15R1.764 COc1ccc(c(c1)N(C)CCO)OC 2230a_200011233031_200000210301 [0,1,0,0,0,0|3,0,0]=4 231 B15R1.764 COc1ccc(c(c1)N(C)CCO)OC 269982a_100000221073_100000211926 [0,1,0,0,0,0|3,0,0]=4 232 B15R1.764 COc1ccc(c(c1)N(C)CCO)OC 269982a_200011233031_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B15R1.764 COc1ccc(c(c1)N(C)CCO)OC 34a_100000221073_100000211926 [0,1,0,0,0,0|3,0,0]=4 234 B15R1.764 COc1ccc(c(c1)N(C)CCO)OC 34a_200011233031_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B15R1.764 COc1ccc(c(c1)N(C)CSC)OC 2230a_100000221073_100011218213 [0,1,0,0,0,0|3,0,0]=4 236 B15R1.764 COc1ccc(c(c1)N(C)CSC)OC 269982a_100000221073_100011218213 [0,1,0,0,0,0|3,0,0]=4 237 B15R1.764 COc1ccc(c(c1)N(C)CSC)OC 34a_100000221073_100011218213 [0,1,0,0,0,0|3,0,0]=4 238 B15R1.764 COc1ccc(c(c1)N([13CH3])CCO)OC 2230a_200011233031_200025704644 [0,1,0,0,0,0|3,0,0]=4 239 B15R1.764 COc1ccc(c(c1)N([13CH3])CCO)OC 269982a_200011233031_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B15R1.764 COc1ccc(c(c1)N([13CH3])CCO)OC 34a_200011233031_200025704644 [0,1,0,0,0,0|3,0,0]=4 241 B15R1.1791 CNC(C)c1cc(c(cc1OC)Br)OC 269862a_106832991636_100012352748 [0,1,0,0,0,0|3,0,0]=4 242 B15R1.1873 COc1ccc(c(c1)C(=O)C(C)C)OC 1458a_100000185243_100000210206 [0,1,0,0,0,0|1,0,2]=4 243 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 2230a_100000221073_100000210206 [0,1,0,0,0,0|3,0,0]=4 244 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 269982a_100000221073_100000210206 [0,1,0,0,0,0|3,0,0]=4 245 B15R1.1873 COc1ccc(c(c1)N(C)C(C)C)OC 34a_100000221073_100000210206 [0,1,0,0,0,0|3,0,0]=4 246 B15R1.4588 CCC(NC)c1cc(ccc1OC)OC 269862a_106832991636_100011206950 [0,1,0,0,0,0|2,0,0]=3 247 B15R1.4588 COc1ccc(c(c1)C(CN)OC)OC 34a_100000738559_200000210301 [0,1,0,0,0,0|0,0,0]=1 248 B15R1.4588 COc1ccc(c(c1)C(CN)O[13CH3])OC 34a_100000738559_200025704644 [0,1,0,0,0,0|0,0,0]=1 249 B15R1.5619 CCOc1ccc(cc1C(=O)CCl)OC 7a_100010402061_100000210202 [0,1,0,0,0,0|1,0,2]=4 250 B15R1.5619 COc1ccc(c(c1)C(=O)CCl)OCF 7a_100010402061_100015361967 [0,1,0,0,0,0|1,0,2]=4 251 B15R2.4846 CNC1CCOc2c1cc(cc2)OC 2230a_100015190458_200000210301 [0,0,0,1,0,0|3,0,0]=4 252 B15R2.4846 CNC1CCOc2c1cc(cc2)OC 34a_100015190458_200000210301 [0,0,0,1,0,0|3,0,0]=4 253 B15R2.4846 COc1ccc2c(c1)C(CCO2)N[13CH3] 2230a_100015190458_200025704644 [0,0,0,1,0,0|3,0,0]=4 254 B15R2.4846 COc1ccc2c(c1)C(CCO2)N[13CH3] 34a_100015190458_200025704644 [0,0,0,1,0,0|3,0,0]=4 255 B15R1.1910 C#CC(C)Nc1cc(ccc1OC)OC 34a_100000184736_200000035995 [0,0,0,0,0,1|2,0,1]=4 256 B15R1.1910 C#CC(C)Oc1cc(ccc1OC)OC 34a_100000074795_200000035995 [0,0,0,0,0,1|2,0,1]=4 257 B15R1.1910 C#CC(C)Sc1cc(ccc1OC)OC 62a_200000035995_100011215452 [0,0,0,0,0,1|2,0,1]=4 258 B15R1.1910 C=CC(C)Sc1cc(ccc1OC)OC 62a_100011215867_100011215452 [0,0,0,0,0,1|2,0,1]=4 259 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000210414_100000205131 [0,0,0,0,0,1|1,0,2]=4 260 B15R1.1910 CCC(=O)Cc1cc(ccc1OC)OC 1458a_100000212042_100000210202 [0,0,0,0,0,1|1,0,2]=4 261 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 11a_100000184736_100000210414 [0,0,0,0,0,1|1,0,2]=4 262 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 1626a_100000184736_100000210414 [0,0,0,0,0,1|1,0,2]=4 263 B15R1.1910 CCC(=O)Nc1cc(ccc1OC)OC 22a_100000184736_100000210414 [0,0,0,0,0,1|1,0,2]=4 264 B15R1.1910 CCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000758301 [0,0,0,0,0,1|2,0,0]=3 265 B15R1.1910 CCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100011215416 [0,0,0,0,0,1|2,0,0]=3 266 B15R1.1910 CCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100011215416 [0,0,0,0,0,1|2,0,0]=3 267 B15R1.1910 CCC(C)Sc1cc(ccc1OC)NC 62a_100000758301_114948341033 [0,0,0,0,0,1|3,0,0]=4 268 B15R1.1910 CCC(C)Sc1cc(ccc1OC)NC 62a_114948341033_100000758301 [0,0,0,0,0,1|3,0,0]=4 269 B15R1.1910 CCC(C)Sc1cc(ccc1OC)OC 62a_100000758301_100011215452 [0,0,0,0,0,1|2,0,0]=3 270 B15R1.1910 CCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000758301 [0,0,0,0,0,1|2,0,0]=3 271 B15R1.1910 CCN(C)Cc1cc(ccc1OC)OC 269982a_100000225621_100011233847 [0,0,0,0,0,1|3,0,0]=4 272 B15R1.1910 CCN(C)Cc1cc(ccc1OC)OC 26a_100000225621_100000074795 [0,0,0,0,0,1|3,0,0]=4 273 B15R1.1910 CCc1ccc(c(c1)NC(C)CC)OC 2230a_100012035449_100000758301 [0,0,0,0,0,1|3,0,0]=4 274 B15R1.1910 CCc1ccc(c(c1)NC(C)CC)OC 34a_100012035449_100011215416 [0,0,0,0,0,1|3,0,0]=4 275 B15R1.1910 CCc1ccc(c(c1)NC(C)CO)OC 2230a_100012035449_100012180447 [0,0,0,0,0,1|3,0,0]=4 276 B15R1.1910 CCc1ccc(c(c1)NC(C)CO)OC 34a_100012035449_100012180447 [0,0,0,0,0,1|3,0,0]=4 277 B15R1.1910 CCc1ccc(c(c1)OC(C)CC)OC 34a_100009844796_100011215416 [0,0,0,0,0,1|3,0,0]=4 278 B15R1.1910 CCc1ccc(c(c1)OC(C)CC)OC 7a_100009844796_100000758301 [0,0,0,0,0,1|3,0,0]=4 279 B15R1.1910 CCc1ccc(c(c1)OC(C)CO)OC 34a_100009844796_100012180447 [0,0,0,0,0,1|3,0,0]=4 280 B15R1.1910 CCc1ccc(c(c1)OC(C)CO)OC 7a_100009844796_100012180447 [0,0,0,0,0,1|3,0,0]=4 281 B15R1.1910 CCc1ccc(c(c1)SC(C)CC)OC 62a_100000758301_100010062400 [0,0,0,0,0,1|3,0,0]=4 282 B15R1.1910 CCc1ccc(c(c1)SC(C)CC)OC 62a_100010062400_100000758301 [0,0,0,0,0,1|3,0,0]=4 283 B15R1.1910 CCc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_100010062400 [0,0,0,0,0,1|3,0,0]=4 284 B15R1.1910 CCc1ccc(c(c1)S[C@H](C)CO)OC 62a_100010062400_100016084084 [0,0,0,0,0,1|3,0,0]=4 285 B15R1.1910 CCc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_100010062400 [0,0,0,0,0,1|3,0,0]=4 286 B15R1.1910 CNc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_114948341033 [0,0,0,0,0,1|3,0,0]=4 287 B15R1.1910 CNc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_114948341033 [0,0,0,0,0,1|3,0,0]=4 288 B15R1.1910 CNc1ccc(c(c1)S[C@H](C)CO)OC 62a_114948341033_100016084084 [0,0,0,0,0,1|3,0,0]=4 289 B15R1.1910 COc1ccc(c(c1)CC(=O)CF)OC 1458a_100000212042_100015361967 [0,0,0,0,0,1|1,0,2]=4 290 B15R1.1910 COc1ccc(c(c1)CC(=O)CO)OC 1458a_100000210174_100000205131 [0,0,0,0,0,1|1,0,2]=4 291 B15R1.1910 COc1ccc(c(c1)NC(=O)CO)OC 22a_100000184736_100000210174 [0,0,0,0,0,1|1,0,2]=4 292 B15R1.1910 COc1ccc(c(c1)NC(C)C#N)OC 2230a_100000184736_100000184139 [0,0,0,0,0,1|1,0,2]=4 293 B15R1.1910 COc1ccc(c(c1)NC(C)CO)OC 2230a_100000184736_100012180447 [0,0,0,0,0,1|2,0,0]=3 294 B15R1.1910 COc1ccc(c(c1)NC(C)CO)OC 34a_100000184736_100012180447 [0,0,0,0,0,1|2,0,0]=3 295 B15R1.1910 COc1ccc(c(c1)OC(C)CO)OC 34a_100000074795_100012180447 [0,0,0,0,0,1|2,0,0]=3 296 B15R1.1910 COc1ccc(c(c1)SC(C)C#N)OC 62a_100000703298_100011215452 [0,0,0,0,0,1|1,0,2]=4 297 B15R1.1910 COc1ccc(c(c1)SC(C)C#N)OC 62a_100011215452_100000703298 [0,0,0,0,0,1|1,0,2]=4 298 B15R1.1910 COc1ccc(c(c1)SC(C)CO)OC 62a_100012180447_100011215452 [0,0,0,0,0,1|2,0,0]=3 299 B15R1.1910 COc1ccc(c(c1)SC(C)OC)OC 62a_100009879195_100011215452 [0,0,0,0,0,1|3,0,0]=4 300 B15R1.1910 COc1ccc(c(c1)SC(C)OC)OC 62a_100011215452_100009879195 [0,0,0,0,0,1|3,0,0]=4 301 B15R1.1910 COc1ccc(c(c1)SC(F)C#N)OC 62a_100011215452_200000117898 [0,0,0,0,0,1|1,0,2]=4 302 B15R1.1910 COc1ccc(c(c1)SC(F)C#N)OC 62a_200000117898_100011215452 [0,0,0,0,0,1|1,0,2]=4 303 B15R1.1910 COc1ccc(c(c1)S[C@H](C)CO)OC 62a_100011215452_100016084084 [0,0,0,0,0,1|2,0,0]=3 304 B15R1.1910 COc1ccc(c(c1)S[C@H](C)CO)OC 62a_100016084084_100011215452 [0,0,0,0,0,1|2,0,0]=3 305 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [2,0,0,0,0,0|0,0,2]=4 306 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [2,0,0,0,0,0|1,0,1]=4 307 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [2,0,0,0,0,0|1,0,1]=4 308 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [2,0,0,0,0,0|1,0,1]=4 309 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [2,0,0,0,0,0|1,0,1]=4 310 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [2,0,0,0,0,0|1,0,1]=4 311 B12R1.78 C=Cc1ccc(cc1CO)OC 271570a_100011290941_200011273942 [2,0,0,0,0,0|1,0,1]=4 312 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [2,0,0,0,0,0|0,1,0]=3 313 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [2,0,0,0,0,0|0,1,0]=3 314 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [2,0,0,0,0,0|0,1,0]=3 315 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [2,0,0,0,0,0|0,1,0]=3 316 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [2,0,0,0,0,0|0,1,0]=3 317 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [2,0,0,0,0,0|0,1,0]=3 318 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [2,0,0,0,0,0|0,1,0]=3 319 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [2,0,0,0,0,0|0,1,0]=3 320 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [2,0,0,0,0,0|2,0,0]=4 321 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [2,0,0,0,0,0|2,0,0]=4 322 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [2,0,0,0,0,0|2,0,0]=4 323 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [2,0,0,0,0,0|2,0,0]=4 324 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [2,0,0,0,0,0|2,0,0]=4 325 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [2,0,0,0,0,0|2,0,0]=4 326 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [2,0,0,0,0,0|2,0,0]=4 327 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [2,0,0,0,0,0|2,0,0]=4 328 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [2,0,0,0,0,0|2,0,0]=4 329 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [2,0,0,0,0,0|2,0,0]=4 330 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [2,0,0,0,0,0|2,0,0]=4 331 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [2,0,0,0,0,0|2,0,0]=4 332 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [2,0,0,0,0,0|2,0,0]=4 333 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [2,0,0,0,0,0|2,0,0]=4 334 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [2,0,0,0,0,0|2,0,0]=4 335 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [2,0,0,0,0,0|2,0,0]=4 336 B12R1.78 CCc1ccc(cc1CO)SC 62a_100010766240_200000210301 [2,0,0,0,0,0|1,1,0]=4 337 B12R1.78 CCc1ccc(cc1CO)SC 62a_200000210301_100010766240 [2,0,0,0,0,0|1,1,0]=4 338 B12R1.78 CCc1ccc(cc1CO)S[13CH3] 62a_100010766240_200025704644 [2,0,0,0,0,0|1,1,0]=4 339 B12R1.78 CCc1ccc(cc1CO)S[13CH3] 62a_200025704644_100010766240 [2,0,0,0,0,0|1,1,0]=4 340 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [2,0,0,0,0,0|1,0,0]=3 341 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [2,0,0,0,0,0|1,0,0]=3 342 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [2,0,0,0,0,0|2,0,0]=4 343 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [2,0,0,0,0,0|2,0,0]=4 344 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [2,0,0,0,0,0|2,0,0]=4 345 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [2,0,0,0,0,0|2,0,0]=4 346 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [2,0,0,0,0,0|2,0,0]=4 347 B12R1.78 CNc1ccc(cc1CO)OC 34a_100012001277_200000210301 [2,0,0,0,0,0|1,0,0]=3 348 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [2,0,0,0,0,0|2,0,0]=4 349 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [2,0,0,0,0,0|2,0,0]=4 350 B12R1.78 COc1cc(c(cn1)SC)CO 62a_100012343675_200000210301 [2,0,0,0,0,0|1,1,0]=4 351 B12R1.78 COc1cc(c(cn1)SC)CO 62a_200000210301_100012343675 [2,0,0,0,0,0|1,1,0]=4 352 B12R1.78 COc1cc(c(cn1)S[13CH3])CO 62a_100012343675_200025704644 [2,0,0,0,0,0|1,1,0]=4 353 B12R1.78 COc1cc(c(cn1)S[13CH3])CO 62a_200025704644_100012343675 [2,0,0,0,0,0|1,1,0]=4 354 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [2,0,0,0,0,0|0,0,2]=4 355 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [2,0,0,0,0,0|0,0,2]=4 356 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [2,0,0,0,0,0|0,0,2]=4 357 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [2,0,0,0,0,0|0,0,2]=4 358 B12R1.78 COc1ccc(c(c1)CN)SC 62a_100000741592_200000210301 [2,0,0,0,0,0|0,1,0]=3 359 B12R1.78 COc1ccc(c(c1)CN)SC 62a_200000210301_100000741592 [2,0,0,0,0,0|0,1,0]=3 360 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_100000741592_200025704644 [2,0,0,0,0,0|0,1,0]=3 361 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_200025704644_100000741592 [2,0,0,0,0,0|0,1,0]=3 362 B12R1.78 COc1ccc(c(c1)CO)N[13CH3] 34a_100012001277_200025704644 [2,0,0,0,0,0|1,0,0]=3 363 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200000210301_200011273942 [2,0,0,0,0,0|0,1,0]=3 364 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200011273942_200000210301 [2,0,0,0,0,0|0,1,0]=3 365 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200011273942_200025704644 [2,0,0,0,0,0|0,1,0]=3 366 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_200011273942 [2,0,0,0,0,0|0,1,0]=3 367 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [2,0,0,0,0,0|1,0,0]=3 368 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [2,0,0,0,0,0|1,0,0]=3 369 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [2,0,0,0,0,0|2,0,0]=4 370 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [2,0,0,0,0,0|2,0,0]=4 371 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [2,0,0,0,0,0|1,0,0]=3 372 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [2,0,0,0,0,0|1,0,0]=3 373 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [2,0,0,0,0,0|1,0,0]=3 374 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [2,0,0,0,0,0|1,0,0]=3 375 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [2,0,0,0,0,0|1,1,0]=4 376 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [2,0,0,0,0,0|1,1,0]=4 377 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [2,0,0,0,0,0|1,1,0]=4 378 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [2,0,0,0,0,0|1,1,0]=4 379 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [2,0,0,0,0,0|1,0,0]=3 380 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [2,0,0,0,0,0|1,0,0]=3 381 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [2,0,0,0,0,0|1,0,0]=3 382 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [2,0,0,0,0,0|1,0,0]=3 383 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [2,0,0,0,0,0|1,0,0]=3 384 B12R1.78 COc1ccc(c(n1)CO)SC 62a_100010069746_200000210301 [2,0,0,0,0,0|1,1,0]=4 385 B12R1.78 COc1ccc(c(n1)CO)SC 62a_200000210301_100010069746 [2,0,0,0,0,0|1,1,0]=4 386 B12R1.78 COc1ccc(c(n1)CO)S[13CH3] 62a_100010069746_200025704644 [2,0,0,0,0,0|1,1,0]=4 387 B12R1.78 COc1ccc(c(n1)CO)S[13CH3] 62a_200025704644_100010069746 [2,0,0,0,0,0|1,1,0]=4 388 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [2,0,0,0,0,0|2,0,0]=4 389 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [2,0,0,0,0,0|2,0,0]=4 390 B12R1.78 COc1ccc(cc1CN)SC 62a_100000690498_200000210301 [2,0,0,0,0,0|0,1,0]=3 391 B12R1.78 COc1ccc(cc1CN)SC 62a_200000210301_100000690498 [2,0,0,0,0,0|0,1,0]=3 392 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_100000690498_200025704644 [2,0,0,0,0,0|0,1,0]=3 393 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_200025704644_100000690498 [2,0,0,0,0,0|0,1,0]=3 394 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [2,0,0,0,0,0|0,1,0]=3 395 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [2,0,0,0,0,0|0,1,0]=3 396 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [2,0,0,0,0,0|0,1,0]=3 397 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [2,0,0,0,0,0|0,1,0]=3 398 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [2,0,0,0,0,0|2,0,0]=4 399 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [2,0,0,0,0,0|1,0,0]=3 400 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [2,0,0,0,0,0|1,1,0]=4 401 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [2,0,0,0,0,0|1,1,0]=4 402 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [2,0,0,0,0,0|1,1,0]=4 403 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [2,0,0,0,0,0|1,1,0]=4 404 B12R1.78 COc1ncc(cc1CO)SC 62a_100000695684_200000210301 [2,0,0,0,0,0|1,1,0]=4 405 B12R1.78 COc1ncc(cc1CO)SC 62a_200000210301_100000695684 [2,0,0,0,0,0|1,1,0]=4 406 B12R1.78 COc1ncc(cc1CO)S[13CH3] 62a_100000695684_200025704644 [2,0,0,0,0,0|1,1,0]=4 407 B12R1.78 COc1ncc(cc1CO)S[13CH3] 62a_200025704644_100000695684 [2,0,0,0,0,0|1,1,0]=4 408 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [2,0,0,0,0,0|2,0,0]=4 409 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [2,0,0,0,0,0|2,0,0]=4 410 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [2,0,0,0,0,0|2,0,0]=4 411 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [2,0,0,0,0,0|2,0,0]=4 412 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [2,0,0,0,0,0|2,0,0]=4 413 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [2,0,0,0,0,0|2,0,0]=4 414 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [2,0,0,0,0,0|2,0,0]=4 415 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [2,0,0,0,0,0|2,0,0]=4 416 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [2,0,0,0,0,0|2,0,0]=4 417 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [2,0,0,0,0,0|2,0,0]=4 418 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [2,0,0,0,0,0|2,0,0]=4 419 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [2,0,0,0,0,0|2,0,0]=4 420 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [2,0,0,0,0,0|2,0,0]=4 421 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [2,0,0,0,0,0|2,0,0]=4 422 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [2,0,0,0,0,0|2,0,0]=4 423 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [2,0,0,0,0,0|2,0,0]=4 424 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [2,0,0,0,0,0|2,0,0]=4 425 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [2,0,0,0,0,0|2,0,0]=4 426 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [2,0,0,0,0,0|2,0,0]=4 427 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [2,0,0,0,0,0|2,0,0]=4 428 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [2,0,0,0,0,0|2,0,0]=4 429 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [2,0,0,0,0,0|2,0,0]=4 430 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [2,0,0,0,0,0|2,0,0]=4 431 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [2,0,0,0,0,0|2,0,0]=4 432 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [2,0,0,0,0,0|0,0,2]=4 433 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [2,0,0,0,0,0|0,0,0]=2 434 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [2,0,0,0,0,0|2,0,0]=4 435 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [2,0,0,0,0,0|2,0,0]=4 436 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [2,0,0,0,0,0|2,0,0]=4 437 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [2,0,0,0,0,0|2,0,0]=4 438 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [2,0,0,0,0,0|2,0,0]=4 439 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [2,0,0,0,0,0|2,0,0]=4 440 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [2,0,0,0,0,0|2,0,0]=4 441 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [2,0,0,0,0,0|2,0,0]=4 442 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [2,0,0,0,0,0|2,0,0]=4 443 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [2,0,0,0,0,0|2,0,0]=4 444 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [2,0,0,0,0,0|2,0,0]=4 445 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [2,0,0,0,0,0|2,0,0]=4 446 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [2,0,0,0,0,0|2,0,0]=4 447 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [2,0,0,0,0,0|2,0,0]=4 448 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [2,0,0,0,0,0|2,0,0]=4 449 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [2,0,0,0,0,0|2,0,0]=4 450 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [2,0,0,0,0,0|2,0,0]=4 451 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [2,0,0,0,0,0|2,0,0]=4 452 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [2,0,0,0,0,0|2,0,0]=4 453 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [2,0,0,0,0,0|2,0,0]=4 454 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [2,0,0,0,0,0|2,0,0]=4 455 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [2,0,0,0,0,0|2,0,0]=4 456 B12R1.270 CCSc1cc(ccc1C)OC 62a_100000210202_100012349166 [2,0,0,0,0,0|2,0,0]=4 457 B12R1.270 CCSc1cc(ccc1C)OC 62a_100012349166_100000210202 [2,0,0,0,0,0|2,0,0]=4 458 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [2,0,0,0,0,0|2,0,0]=4 459 B12R1.270 CNCc1cc(ccc1C)OC 207a_100102657272_100012017359 [2,0,0,0,0,0|2,0,0]=4 460 B12R1.270 CNCc1cc(ccc1C)OC 270004a_106832991635_100012017359 [2,0,0,0,0,0|2,0,0]=4 461 B12R1.270 CNCc1cc(ccc1C)OC 34a_100012180165_200000210301 [2,0,0,0,0,0|2,0,0]=4 462 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [2,0,0,0,0,0|2,0,0]=4 463 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [2,0,0,0,0,0|2,0,0]=4 464 B12R1.270 COc1ccc(c(c1)CC#N)O 271570a_203496583355_100012259381 [2,0,0,0,0,0|0,0,2]=4 465 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [2,0,0,0,0,0|1,0,0]=3 466 B12R1.270 COc1ccc(c(c1)CN[13CH3])C 34a_100012180165_200025704644 [2,0,0,0,0,0|2,0,0]=4 467 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [2,0,0,0,0,0|2,0,0]=4 468 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [2,0,0,0,0,0|2,0,0]=4 469 B12R1.270 COc1ccc(c(c1)NCF)C 34a_100000760359_100015361967 [2,0,0,0,0,0|2,0,0]=4 470 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [2,0,0,0,0,0|2,0,0]=4 471 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [2,0,0,0,0,0|2,0,0]=4 472 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [2,0,0,0,0,0|2,0,0]=4 473 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100012349166_100015361967 [2,0,0,0,0,0|2,0,0]=4 474 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100015361967_100012349166 [2,0,0,0,0,0|2,0,0]=4 475 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [2,0,0,0,0,0|2,0,0]=4 476 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [2,0,0,0,0,0|1,0,1]=4 477 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [2,0,0,0,0,0|1,0,1]=4 478 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [2,0,0,0,0,0|0,0,2]=4 479 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [2,0,0,0,0,0|0,0,2]=4 480 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [2,0,0,0,0,0|2,0,0]=4 481 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [2,0,0,0,0,0|2,0,0]=4 482 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [2,0,0,0,0,0|1,0,0]=3 483 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [2,0,0,0,0,0|1,0,0]=3 484 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [2,0,0,0,0,0|2,0,0]=4 485 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [2,0,0,0,0,0|0,0,2]=4 486 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [2,0,0,0,0,0|0,0,2]=4 487 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [2,0,0,0,0,0|0,0,2]=4 488 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [2,0,0,0,0,0|0,0,2]=4 489 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [2,0,0,0,0,0|0,0,2]=4 490 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [2,0,0,0,0,0|0,0,2]=4 491 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [2,0,0,0,0,0|0,0,2]=4 492 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [2,0,0,0,0,0|0,0,2]=4 493 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [2,0,0,0,0,0|0,0,2]=4 494 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [2,0,0,0,0,0|2,0,0]=4 495 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [2,0,0,0,0,0|2,0,0]=4 496 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [2,0,0,0,0,0|1,0,0]=3 497 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [2,0,0,0,0,0|1,0,0]=3 498 B12R1.46 COc1ccc(cc1C(F)F)O 271570a_203496583355_100010146105 [2,0,0,0,0,0|2,0,0]=4 499 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [2,0,0,0,0,0|2,0,0]=4 500 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [2,0,0,0,0,0|2,0,0]=4 501 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [2,0,0,0,0,0|2,0,0]=4 502 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [2,0,0,0,0,0|2,0,0]=4 503 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_100134768474_200000210301 [2,0,0,0,0,0|1,1,0]=4 504 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_200000210301_100134768474 [2,0,0,0,0,0|1,1,0]=4 505 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [2,0,0,0,0,0|2,0,0]=4 506 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [2,0,0,0,0,0|2,0,0]=4 507 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [2,0,0,0,0,0|2,0,0]=4 508 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [2,0,0,0,0,0|2,0,0]=4 509 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_100134768474_200025704644 [2,0,0,0,0,0|1,1,0]=4 510 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_200025704644_100134768474 [2,0,0,0,0,0|1,1,0]=4 511 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [2,0,0,0,0,0|0,0,2]=4 512 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [2,0,0,0,0,0|0,0,2]=4 513 B12R1.77 C=Cc1ccccc1C(O)CN 271570a_100011290941_100011236429 [2,0,0,0,0,0|1,0,1]=4 514 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [2,0,0,0,0,0|2,0,0]=4 515 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [2,0,0,0,0,0|2,0,0]=4 516 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [2,0,0,0,0,0|0,1,0]=3 517 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [2,0,0,0,0,0|0,1,0]=3 518 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [2,0,0,0,0,0|0,1,0]=3 519 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [2,0,0,0,0,0|0,1,0]=3 520 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [2,0,0,0,0,0|1,0,1]=4 521 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [2,0,0,0,0,0|1,0,1]=4 522 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [2,0,0,0,0,0|1,1,0]=4 523 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [2,0,0,0,0,0|1,1,0]=4 524 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_100011943926_200025704644 [2,0,0,0,0,0|1,1,0]=4 525 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100011943926 [2,0,0,0,0,0|1,1,0]=4 526 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [2,0,0,0,0,0|2,0,0]=4 527 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [2,0,0,0,0,0|0,0,2]=4 528 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [2,0,0,0,0,0|0,0,2]=4 529 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [2,0,0,0,0,0|0,0,2]=4 530 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [2,0,0,0,0,0|0,0,2]=4 531 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [2,0,0,0,0,0|0,0,2]=4 532 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [2,0,0,0,0,0|0,0,2]=4 533 B12R1.453 COc1ccc(c(c1)C(F)F)O 271570a_203496583355_100010189949 [2,0,0,0,0,0|2,0,0]=4 534 B12R1.453 COc1ccc(c(c1)N(C)C)C 34a_200000087912_200000210301 [2,0,0,0,0,0|2,0,0]=4 535 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [2,0,0,0,0,0|1,0,0]=3 536 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [2,0,0,0,0,0|1,1,0]=4 537 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [2,0,0,0,0,0|1,1,0]=4 538 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_100011943926_200000210301 [2,0,0,0,0,0|1,1,0]=4 539 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_200000210301_100011943926 [2,0,0,0,0,0|1,1,0]=4 540 B12R1.453 Cc1ccc(cc1N(C)C)O[13CH3] 34a_200000087912_200025704644 [2,0,0,0,0,0|2,0,0]=4 541 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [2,0,0,0,0,0|2,0,0]=4 542 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [2,0,0,0,0,0|2,0,0]=4 543 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200000210301_200013212081 [2,0,0,0,0,0|1,1,0]=4 544 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200013212081_200000210301 [2,0,0,0,0,0|1,1,0]=4 545 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200013212081_200025704644 [2,0,0,0,0,0|1,1,0]=4 546 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200013212081 [2,0,0,0,0,0|1,1,0]=4 547 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [2,0,0,0,0,0|2,0,0]=4 548 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [2,0,0,0,0,0|0,0,0]=2 549 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [2,0,0,0,0,0|2,0,0]=4 550 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [2,0,0,0,0,0|0,0,0]=2 551 B14R1.441 C=C(C)c1ccc(c(c1)CCN)OC 271570a_100000694244_100000763266 [1,1,0,0,0,0|1,0,0]=3 552 B14R1.759 C#CCNc1cc(ccc1OC)OC 2230a_100000184736_100000038162 [1,1,0,0,0,0|1,0,1]=4 553 B14R1.759 C#CCNc1cc(ccc1OC)OC 34a_100000184736_100000184674 [1,1,0,0,0,0|1,0,1]=4 554 B14R1.759 C#CCOc1cc(ccc1OC)OC 34a_100000074795_100000184674 [1,1,0,0,0,0|1,0,1]=4 555 B14R1.759 C#CCSc1cc(ccc1OC)OC 62a_100000038162_100011215452 [1,1,0,0,0,0|1,0,1]=4 556 B14R1.759 C=CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210623 [1,1,0,0,0,0|1,0,1]=4 557 B14R1.759 C=CCNc1cc(ccc1OC)OC 34a_100000184736_100015514636 [1,1,0,0,0,0|1,0,1]=4 558 B14R1.759 C=CCOc1cc(ccc1OC)OC 34a_100000074795_100015514636 [1,1,0,0,0,0|1,0,1]=4 559 B14R1.759 C=CCSc1cc(ccc1OC)OC 62a_100000210623_100011215452 [1,1,0,0,0,0|1,0,1]=4 560 B14R1.759 C=CCSc1cc(ccc1OC)OC 62a_100011215452_100000210623 [1,1,0,0,0,0|1,0,1]=4 561 B14R1.759 CCCCc1cc(ccc1OC)CC 271570a_100020621405_100010062400 [1,1,0,0,0,0|2,0,0]=4 562 B14R1.759 CCCCc1cc(ccc1OC)NC 271570a_100020621405_114948341033 [1,1,0,0,0,0|2,0,0]=4 563 B14R1.759 CCCCc1cc(ccc1OC)OC 271570a_100020621405_100011215452 [1,1,0,0,0,0|1,0,0]=3 564 B14R1.759 CCCNc1cc(ccc1OC)CC 2230a_100012035449_100000210303 [1,1,0,0,0,0|2,0,0]=4 565 B14R1.759 CCCNc1cc(ccc1OC)CC 34a_100012035449_100000210303 [1,1,0,0,0,0|2,0,0]=4 566 B14R1.759 CCCNc1cc(ccc1OC)OC 2230a_100000184736_100000210303 [1,1,0,0,0,0|1,0,0]=3 567 B14R1.759 CCCNc1cc(ccc1OC)OC 34a_100000184736_100000210303 [1,1,0,0,0,0|1,0,0]=3 568 B14R1.759 CCCOc1cc(ccc1OC)CC 34a_100009844796_100000210303 [1,1,0,0,0,0|2,0,0]=4 569 B14R1.759 CCCOc1cc(ccc1OC)CC 7a_100009844796_100000210303 [1,1,0,0,0,0|2,0,0]=4 570 B14R1.759 CCCOc1cc(ccc1OC)OC 34a_100000074795_100000210303 [1,1,0,0,0,0|1,0,0]=3 571 B14R1.759 CCCSc1cc(ccc1OC)CC 62a_100000210303_100010062400 [1,1,0,0,0,0|2,0,0]=4 572 B14R1.759 CCCSc1cc(ccc1OC)CC 62a_100010062400_100000210303 [1,1,0,0,0,0|2,0,0]=4 573 B14R1.759 CCCSc1cc(ccc1OC)NC 62a_100000210303_114948341033 [1,1,0,0,0,0|2,0,0]=4 574 B14R1.759 CCCSc1cc(ccc1OC)NC 62a_114948341033_100000210303 [1,1,0,0,0,0|2,0,0]=4 575 B14R1.759 CCCSc1cc(ccc1OC)OC 62a_100000210303_100011215452 [1,1,0,0,0,0|1,0,0]=3 576 B14R1.759 CCCSc1cc(ccc1OC)OC 62a_100011215452_100000210303 [1,1,0,0,0,0|1,0,0]=3 577 B14R1.759 CCNCc1cc(ccc1OC)CC 207a_100015525214_200000117280 [1,1,0,0,0,0|2,0,0]=4 578 B14R1.759 CCNCc1cc(ccc1OC)CC 270004a_100015525214_200000117280 [1,1,0,0,0,0|2,0,0]=4 579 B14R1.759 CCNCc1cc(ccc1OC)OC 207a_100015525214_100000170336 [1,1,0,0,0,0|1,0,0]=3 580 B14R1.759 CCNCc1cc(ccc1OC)OC 270004a_100015525214_100000170336 [1,1,0,0,0,0|1,0,0]=3 581 B14R1.759 CCNCc1cc(ccc1OC)OC 34a_100000185951_100000210202 [1,1,0,0,0,0|1,0,0]=3 582 B14R1.759 CCNCc1cc(ccc1OC)SC 62a_100015182949_200000210301 [1,1,0,0,0,0|1,1,0]=4 583 B14R1.759 CCNCc1cc(ccc1OC)SC 62a_200000210301_100015182949 [1,1,0,0,0,0|1,1,0]=4 584 B14R1.759 CCNCc1cc(ccc1OC)S[13CH3] 62a_100015182949_200025704644 [1,1,0,0,0,0|1,1,0]=4 585 B14R1.759 CCNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100015182949 [1,1,0,0,0,0|1,1,0]=4 586 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100000212306_100000210202 [1,1,0,0,0,0|1,0,0]=3 587 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100121572206_100011233847 [1,1,0,0,0,0|1,0,0]=3 588 B14R1.759 CCSCc1cc(ccc1OC)OC 62a_100000205131_100000210202 [1,1,0,0,0,0|1,0,0]=3 589 B14R1.759 CCSCc1cc(ccc1OC)OC 62a_100000210202_100011233847 [1,1,0,0,0,0|1,0,0]=3 590 B14R1.759 CCc1ccc(c(c1)NCCF)OC 2230a_100012035449_100011217306 [1,1,0,0,0,0|2,0,0]=4 591 B14R1.759 CCc1ccc(c(c1)NCCF)OC 34a_100012035449_100011217306 [1,1,0,0,0,0|2,0,0]=4 592 B14R1.759 CCc1ccc(c(c1)NCCO)OC 2230a_100012035449_100000211926 [1,1,0,0,0,0|2,0,0]=4 593 B14R1.759 CCc1ccc(c(c1)NCCO)OC 34a_100012035449_100000211926 [1,1,0,0,0,0|2,0,0]=4 594 B14R1.759 CCc1ccc(c(c1)OCCF)OC 34a_100009844796_100011217306 [1,1,0,0,0,0|2,0,0]=4 595 B14R1.759 CCc1ccc(c(c1)OCCF)OC 7a_100009844796_100011217306 [1,1,0,0,0,0|2,0,0]=4 596 B14R1.759 CCc1ccc(c(c1)OCCO)OC 34a_100009844796_100000211926 [1,1,0,0,0,0|2,0,0]=4 597 B14R1.759 CCc1ccc(c(c1)OCCO)OC 7a_100009844796_100000211926 [1,1,0,0,0,0|2,0,0]=4 598 B14R1.759 CCc1ccc(c(c1)SCCF)OC 62a_100010062400_100011217306 [1,1,0,0,0,0|2,0,0]=4 599 B14R1.759 CCc1ccc(c(c1)SCCF)OC 62a_100011217306_100010062400 [1,1,0,0,0,0|2,0,0]=4 600 B14R1.759 CCc1ccc(c(c1)SCCO)OC 62a_100000211926_100010062400 [1,1,0,0,0,0|2,0,0]=4 601 B14R1.759 CCc1ccc(c(c1)SCCO)OC 62a_100010062400_100000211926 [1,1,0,0,0,0|2,0,0]=4 602 B14R1.759 CNc1ccc(c(c1)SCCF)OC 62a_100011217306_114948341033 [1,1,0,0,0,0|2,0,0]=4 603 B14R1.759 CNc1ccc(c(c1)SCCF)OC 62a_114948341033_100011217306 [1,1,0,0,0,0|2,0,0]=4 604 B14R1.759 CNc1ccc(c(c1)SCCO)OC 62a_100000211926_114948341033 [1,1,0,0,0,0|2,0,0]=4 605 B14R1.759 CNc1ccc(c(c1)SCCO)OC 62a_114948341033_100000211926 [1,1,0,0,0,0|2,0,0]=4 606 B14R1.759 COCNc1cc(ccc1OC)OC 2230a_100000184736_100000766300 [1,1,0,0,0,0|2,0,0]=4 607 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100000766300_100011215452 [1,1,0,0,0,0|2,0,0]=4 608 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100011215452_100000766300 [1,1,0,0,0,0|2,0,0]=4 609 B14R1.759 COc1ccc(c(c1)CNCF)OC 34a_100000185951_100015361967 [1,1,0,0,0,0|1,0,0]=3 610 B14R1.759 COc1ccc(c(c1)COCF)OC 34a_100000212306_100015361967 [1,1,0,0,0,0|1,0,0]=3 611 B14R1.759 COc1ccc(c(c1)CSCF)OC 62a_100000205131_100015361967 [1,1,0,0,0,0|1,0,0]=3 612 B14R1.759 COc1ccc(c(c1)CSCF)OC 62a_100015361967_100011233847 [1,1,0,0,0,0|1,0,0]=3 613 B14R1.759 COc1ccc(c(c1)NCC#N)OC 2230a_100000184736_100011215382 [1,1,0,0,0,0|0,0,2]=4 614 B14R1.759 COc1ccc(c(c1)NCC=O)OC 2230a_100000184736_200015260668 [1,1,0,0,0,0|1,0,1]=4 615 B14R1.759 COc1ccc(c(c1)NCC=O)OC 34a_100000184736_200009817547 [1,1,0,0,0,0|1,0,1]=4 616 B14R1.759 COc1ccc(c(c1)NCCF)OC 2230a_100000184736_100011217306 [1,1,0,0,0,0|1,0,0]=3 617 B14R1.759 COc1ccc(c(c1)NCCF)OC 34a_100000184736_100011217306 [1,1,0,0,0,0|1,0,0]=3 618 B14R1.759 COc1ccc(c(c1)NCCO)OC 2230a_100000184736_100000211926 [1,1,0,0,0,0|1,0,0]=3 619 B14R1.759 COc1ccc(c(c1)NCCO)OC 34a_100000184736_100000211926 [1,1,0,0,0,0|1,0,0]=3 620 B14R1.759 COc1ccc(c(c1)NCSC)OC 2230a_100000184736_100011218213 [1,1,0,0,0,0|2,0,0]=4 621 B14R1.759 COc1ccc(c(c1)NCSC)OC 34a_100000184736_100011218213 [1,1,0,0,0,0|2,0,0]=4 622 B14R1.759 COc1ccc(c(c1)OCC=O)OC 34a_100000074795_200009817547 [1,1,0,0,0,0|1,0,1]=4 623 B14R1.759 COc1ccc(c(c1)OCCF)OC 34a_100000074795_100011217306 [1,1,0,0,0,0|1,0,0]=3 624 B14R1.759 COc1ccc(c(c1)OCCO)OC 34a_100000074795_100000211926 [1,1,0,0,0,0|1,0,0]=3 625 B14R1.759 COc1ccc(c(c1)OCSC)OC 34a_100000074795_100011218213 [1,1,0,0,0,0|2,0,0]=4 626 B14R1.759 COc1ccc(c(c1)SCC#N)OC 62a_100011215382_100011215452 [1,1,0,0,0,0|0,0,2]=4 627 B14R1.759 COc1ccc(c(c1)SCC#N)OC 62a_100011215452_100011215382 [1,1,0,0,0,0|0,0,2]=4 628 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_100011215452_200015260668 [1,1,0,0,0,0|1,0,1]=4 629 B14R1.759 COc1ccc(c(c1)SCC=O)OC 62a_200015260668_100011215452 [1,1,0,0,0,0|1,0,1]=4 630 B14R1.759 COc1ccc(c(c1)SCCF)OC 62a_100011215452_100011217306 [1,1,0,0,0,0|1,0,0]=3 631 B14R1.759 COc1ccc(c(c1)SCCF)OC 62a_100011217306_100011215452 [1,1,0,0,0,0|1,0,0]=3 632 B14R1.759 COc1ccc(c(c1)SCCO)OC 62a_100000211926_100011215452 [1,1,0,0,0,0|1,0,0]=3 633 B14R1.759 COc1ccc(c(c1)SCCO)OC 62a_100011215452_100000211926 [1,1,0,0,0,0|1,0,0]=3 634 B14R1.759 COc1ccc(c(c1)SCSC)OC 62a_100011215452_100011218213 [1,1,0,0,0,0|2,0,0]=4 635 B14R1.759 COc1ccc(c(c1)SCSC)OC 62a_100011218213_100011215452 [1,1,0,0,0,0|2,0,0]=4 636 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000070787_100000205131 [1,1,0,0,0,0|1,0,1]=4 637 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 1458a_100000212042_200000210301 [1,1,0,0,0,0|1,0,1]=4 638 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 34a_200000075431_200000210301 [1,1,0,0,0,0|1,0,1]=4 639 B14R1.3723 COc1ccc(c(c1)CC(=O)C)OC 7a_200000075431_200000210301 [1,1,0,0,0,0|1,0,1]=4 640 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 34a_200000075431_200025704644 [1,1,0,0,0,0|1,0,1]=4 641 B14R1.3723 COc1ccc(c(c1)CC(=O)C)O[13CH3] 7a_200000075431_200025704644 [1,1,0,0,0,0|1,0,1]=4 642 B14R1.3723 COc1ccc(c(c1)CC(=O)[13CH3])OC 1458a_100000212042_200025704644 [1,1,0,0,0,0|1,0,1]=4 643 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 269982a_100102631434_100011233847 [1,1,0,0,0,0|2,0,0]=4 644 B14R1.3723 COc1ccc(c(c1)CN(C)C)OC 270004a_100102631434_100000170336 [1,1,0,0,0,0|2,0,0]=4 645 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 2230a_100000184736_100000210206 [1,1,0,0,0,0|2,0,0]=4 646 B14R1.3723 COc1ccc(c(c1)NC(C)C)OC 34a_100000184736_100000210206 [1,1,0,0,0,0|2,0,0]=4 647 B14R1.3723 COc1ccc(c(c1)OC(C)C)OC 34a_100000074795_100000210206 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100000210206_100011215452 [1,1,0,0,0,0|2,0,0]=4 649 B14R1.3723 COc1ccc(c(c1)SC(C)C)OC 62a_100011215452_100000210206 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.5121 C=C(C)c1ccc(cc1CCO)OC 271570a_100000694244_100012259501 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.5236 C=CCc1cc(ccc1OCC)OC 7a_200000185190_100000210202 [1,1,0,0,0,0|1,0,1]=4 652 B14R1.5236 C=CCc1cc(ccc1OCF)OC 7a_200000185190_100015361967 [1,1,0,0,0,0|1,0,1]=4 653 B14R1.5236 CC=Cc1ccc(cc1CCO)OC 271570a_100016259895_100012259501 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.5236 CCSc1ccc(cc1CCO)OC 62a_100000210202_100012259501 [1,1,0,0,0,0|1,1,0]=4 655 B14R1.5236 CCSc1ccc(cc1CCO)OC 62a_100012259501_100000210202 [1,1,0,0,0,0|1,1,0]=4 656 B14R1.5236 COc1ccc(c(c1)CCO)SCF 62a_100012259501_100015361967 [1,1,0,0,0,0|1,1,0]=4 657 B14R1.5236 COc1ccc(c(c1)CCO)SCF 62a_100015361967_100012259501 [1,1,0,0,0,0|1,1,0]=4 658 B14R1.5317 CCNc1cc(cc(c1OC)Br)OC 34a_100010294495_100000210202 [1,1,0,0,0,0|2,0,0]=4 659 B14R1.5317 CCOc1cc(cc(c1OC)Br)OC 34a_200020900881_100000210202 [1,1,0,0,0,0|2,0,0]=4 660 B14R1.5317 CCSc1cc(cc(c1OC)N)OC 62a_100000210202_100010294495 [1,1,0,0,0,0|2,0,0]=4 661 B14R1.5317 CCSc1cc(cc(c1OC)N)OC 62a_100010294495_100000210202 [1,1,0,0,0,0|2,0,0]=4 662 B14R1.5317 CCSc1cc(cc(c1OC)O)OC 62a_100000210202_200020900881 [1,1,0,0,0,0|2,0,0]=4 663 B14R1.5317 CNCc1cc(cc(c1OC)Br)OC 26a_100102657272_200020900881 [1,1,0,0,0,0|2,0,0]=4 664 B14R1.5317 COc1cc(c(c(c1)NCF)OC)Br 34a_100010294495_100015361967 [1,1,0,0,0,0|2,0,0]=4 665 B14R1.5317 COc1cc(c(c(c1)OCF)OC)Br 34a_200020900881_100015361967 [1,1,0,0,0,0|2,0,0]=4 666 B14R1.5317 COc1cc(c(c(c1)SCF)OC)N 62a_100010294495_100015361967 [1,1,0,0,0,0|2,0,0]=4 667 B14R1.5317 COc1cc(c(c(c1)SCF)OC)N 62a_100015361967_100010294495 [1,1,0,0,0,0|2,0,0]=4 668 B14R1.5317 COc1cc(c(c(c1)SCF)OC)O 62a_100015361967_200020900881 [1,1,0,0,0,0|2,0,0]=4 669 B14R1.6787 C=C=Cc1ccc(c(c1)CCN)OC 271570a_100015277604_100000763266 [1,1,0,0,0,0|1,0,1]=4 670 B14R1.6787 C=CCc1cc(ccc1OC)OCC 7a_100000184798_200000210301 [1,1,0,0,0,0|1,0,1]=4 671 B14R1.6787 C=CCc1cc(ccc1O[13CH3])OCC 7a_100000184798_200025704644 [1,1,0,0,0,0|1,0,1]=4 672 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [1,1,0,0,0,0|1,0,0]=3 673 B14R1.6787 CCSc1ccc(c(c1)CCN)OC 62a_100000210202_100000763266 [1,1,0,0,0,0|0,1,0]=3 674 B14R1.6787 CCSc1ccc(c(c1)CCN)OC 62a_100000763266_100000210202 [1,1,0,0,0,0|0,1,0]=3 675 B14R1.6787 COc1ccc(cc1CCN)SCF 62a_100000763266_100015361967 [1,1,0,0,0,0|0,1,0]=3 676 B14R1.6787 COc1ccc(cc1CCN)SCF 62a_100015361967_100000763266 [1,1,0,0,0,0|0,1,0]=3 677 B14R1.9401 CCSc1c(ccc(c1F)OC)OC 62a_100000210202_200016180952 [1,1,0,0,0,0|2,0,0]=4 678 B14R1.9401 CCSc1c(ccc(c1F)OC)OC 62a_200016180952_100000210202 [1,1,0,0,0,0|2,0,0]=4 679 B14R1.9401 COc1ccc(c(c1F)SCF)OC 62a_100015361967_200016180952 [1,1,0,0,0,0|2,0,0]=4 680 B14R1.9401 COc1ccc(c(c1F)SCF)OC 62a_200016180952_100015361967 [1,1,0,0,0,0|2,0,0]=4 681 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000210202 [1,1,0,0,0,0|2,0,0]=4 682 B14R1.15069 CCNc1cc(c(cc1OC)Cl)OC 34a_100000179761_100000210202 [1,1,0,0,0,0|2,0,0]=4 683 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210202 [1,1,0,0,0,0|2,0,0]=4 684 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210202 [1,1,0,0,0,0|2,0,0]=4 685 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100000210202_100013799044 [1,1,0,0,0,0|2,0,0]=4 686 B14R1.15069 CCSc1cc(c(cc1OC)Br)OC 62a_100013799044_100000210202 [1,1,0,0,0,0|2,0,0]=4 687 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000039368_100000210202 [1,1,0,0,0,0|2,0,0]=4 688 B14R1.15069 CCSc1cc(c(cc1OC)C)OC 62a_100000210202_100000039368 [1,1,0,0,0,0|2,0,0]=4 689 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000210202 [1,1,0,0,0,0|2,0,0]=4 690 B14R1.15069 CCSc1cc(c(cc1OC)Cl)OC 62a_100000210202_100000023288 [1,1,0,0,0,0|2,0,0]=4 691 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 207a_100102657272_100000188581 [1,1,0,0,0,0|2,0,0]=4 692 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 26a_100102657272_100009816818 [1,1,0,0,0,0|2,0,0]=4 693 B14R1.15069 CNCc1cc(c(cc1OC)Br)OC 270004a_106832991635_100000188581 [1,1,0,0,0,0|2,0,0]=4 694 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 207a_100102657272_100000079178 [1,1,0,0,0,0|2,0,0]=4 695 B14R1.15069 CNCc1cc(c(cc1OC)C)OC 270004a_106832991635_100000079178 [1,1,0,0,0,0|2,0,0]=4 696 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 207a_100102657272_100010168916 [1,1,0,0,0,0|2,0,0]=4 697 B14R1.15069 CNCc1cc(c(cc1OC)Cl)OC 270004a_106832991635_100010168916 [1,1,0,0,0,0|2,0,0]=4 698 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 207a_100102657272_200010262236 [1,1,0,0,0,0|2,0,0]=4 699 B14R1.15069 CNCc1cc(c(cc1OC)I)OC 270004a_106832991635_200010262236 [1,1,0,0,0,0|2,0,0]=4 700 B14R1.15069 COCc1cc(c(cc1OC)C)OC 34a_200010309539_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.15069 COCc1cc(c(cc1OC)C)OC 7a_200010309539_200000210301 [1,1,0,0,0,0|2,0,0]=4 702 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 34a_100009816818_100015361967 [1,1,0,0,0,0|2,0,0]=4 703 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 7a_100009816818_100015361967 [1,1,0,0,0,0|2,0,0]=4 704 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100013799044_100015361967 [1,1,0,0,0,0|2,0,0]=4 705 B14R1.15069 COc1cc(c(cc1Br)OC)SCF 62a_100015361967_100013799044 [1,1,0,0,0,0|2,0,0]=4 706 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 34a_200010309539_200025704644 [1,1,0,0,0,0|2,0,0]=4 707 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 7a_200010309539_200025704644 [1,1,0,0,0,0|2,0,0]=4 708 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100000039368_100015361967 [1,1,0,0,0,0|2,0,0]=4 709 B14R1.15069 COc1cc(c(cc1C)OC)SCF 62a_100015361967_100000039368 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.15069 COc1cc(c(cc1Cl)OC)NCF 34a_100000179761_100015361967 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100000023288_100015361967 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.15069 COc1cc(c(cc1Cl)OC)SCF 62a_100015361967_100000023288 [1,1,0,0,0,0|2,0,0]=4 713 B14R1.599 CCNC(C)c1cc(ccc1OC)C 269862a_100015525214_100000212259 [1,1,0,0,0,0|2,0,0]=4 714 B14R1.1867 COc1ccc(cc1C(O)C(Cl)Cl)C 7a_206835378202_200000210301 [1,1,0,0,0,0|1,0,0]=3 715 B14R1.1867 Cc1ccc(c(c1)C(O)C(Cl)Cl)O[13CH3] 7a_206835378202_200025704644 [1,1,0,0,0,0|1,0,0]=3 716 B14R1.31 CC(C)c1ccc(c(c1)C(C)C)O[13CH3] 34a_100000066808_200025704644 [1,1,0,0,0,0|2,0,0]=4 717 B14R1.31 CC(C)c1ccc(c(c1)C(C)C)O[13CH3] 7a_100000066808_200025704644 [1,1,0,0,0,0|2,0,0]=4 718 B14R1.31 COc1ccc(cc1C(C)C)C(C)C 34a_100000066808_200000210301 [1,1,0,0,0,0|2,0,0]=4 719 B14R1.31 COc1ccc(cc1C(C)C)C(C)C 7a_100000066808_200000210301 [1,1,0,0,0,0|2,0,0]=4 720 B14R1.104 C=C(C)c1ccc(cc1[C@H](C)N)OC 271570a_100000694244_200015425320 [1,1,0,0,0,0|2,0,0]=4 721 B14R1.564 C=C(C)c1cc(cc(c1OC)N)OC 271570a_100000694244_100010294495 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.564 C=C(C)c1cc(cc(c1OC)O)OC 271570a_100000694244_200020900881 [1,1,0,0,0,0|1,0,1]=4 723 B14R1.2288 C=C(C)c1cc(c(cc1OC)Br)OC 271570a_100000694244_100013799044 [1,1,0,0,0,0|1,0,1]=4 724 B14R1.2288 C=C(C)c1cc(c(cc1OC)C)OC 271570a_100000694244_100000039368 [1,1,0,0,0,0|1,0,1]=4 725 B14R1.2288 C=C(C)c1cc(c(cc1OC)Cl)OC 271570a_100000694244_100000023288 [1,1,0,0,0,0|1,0,1]=4 726 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)OC 271570a_100000694244_100009816818 [1,1,0,0,0,0|1,0,1]=4 727 B14R1.2288 COc1cc(c(cc1O)OC)B(O)O 271570a_203496583355_100010185586 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.2288 COc1cc(c(cc1O)OC)C(=O)C 271570a_203496583355_100012352748 [1,1,0,0,0,0|0,0,2]=4 729 B14R1.2343 C=C(C)c1c(ccc(c1F)OC)OC 271570a_100000694244_200016180952 [1,1,0,0,0,0|1,0,1]=4 730 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)OC 34a_100000211512_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)OC 7a_100000211512_200000210301 [1,1,0,0,0,0|2,0,0]=4 732 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211512_200025704644 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.3720 CCc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211512_200025704644 [1,1,0,0,0,0|2,0,0]=4 734 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 34a_100000074442_200000210301 [1,1,0,0,0,0|1,0,0]=3 735 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 34a_100000211501_200000210301 [1,1,0,0,0,0|1,0,0]=3 736 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 7a_100000074442_200000210301 [1,1,0,0,0,0|1,0,0]=3 737 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)OC 7a_100000211501_200000210301 [1,1,0,0,0,0|1,0,0]=3 738 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211501_200025704644 [1,1,0,0,0,0|1,0,0]=3 739 B14R1.3720 COc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211501_200025704644 [1,1,0,0,0,0|1,0,0]=3 740 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 34a_100000094057_200000210301 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 34a_100009851142_200000210301 [1,1,0,0,0,0|2,0,0]=4 742 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 7a_100000094057_200000210301 [1,1,0,0,0,0|2,0,0]=4 743 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)OC 7a_100009851142_200000210301 [1,1,0,0,0,0|2,0,0]=4 744 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)O[13CH3] 34a_100009851142_200025704644 [1,1,0,0,0,0|2,0,0]=4 745 B14R1.3720 COc1ccc(c(c1)C(F)(F)F)O[13CH3] 7a_100009851142_200025704644 [1,1,0,0,0,0|2,0,0]=4 746 B14R1.3720 COc1ccc(cc1C(C)(C)C)O[13CH3] 34a_100000074442_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B14R1.3720 COc1ccc(cc1C(C)(C)C)O[13CH3] 7a_100000074442_200025704644 [1,1,0,0,0,0|1,0,0]=3 748 B14R1.3720 COc1ccc(cc1C(F)(F)F)O[13CH3] 34a_100000094057_200025704644 [1,1,0,0,0,0|2,0,0]=4 749 B14R1.3720 COc1ccc(cc1C(F)(F)F)O[13CH3] 7a_100000094057_200025704644 [1,1,0,0,0,0|2,0,0]=4 750 B14R1.5237 CC=Cc1ccc(cc1[C@H](C)N)OC 271570a_100016259895_200015425320 [1,1,0,0,0,0|2,0,0]=4 751 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC 34a_100000211518_100000210202 [1,1,0,0,0,0|0,0,2]=4 752 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC 7a_100000211518_100000210202 [1,1,0,0,0,0|0,0,2]=4 753 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 34a_100011998526_100000210202 [1,1,0,0,0,0|1,0,0]=3 754 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 7a_100011998526_100000210202 [1,1,0,0,0,0|1,0,0]=3 755 B14R1.5237 CCSc1ccc(cc1[C@H](C)N)OC 62a_100000210202_200015425320 [1,1,0,0,0,0|1,1,0]=4 756 B14R1.5237 CCSc1ccc(cc1[C@H](C)N)OC 62a_200015425320_100000210202 [1,1,0,0,0,0|1,1,0]=4 757 B14R1.5237 CNCc1ccc(cc1C(C)C)OC 26a_100102657272_100011998526 [1,1,0,0,0,0|2,0,0]=4 758 B14R1.5237 COc1ccc(c(c1)C(=O)C)OCF 34a_100000211518_100015361967 [1,1,0,0,0,0|0,0,2]=4 759 B14R1.5237 COc1ccc(c(c1)C(=O)C)OCF 7a_100000211518_100015361967 [1,1,0,0,0,0|0,0,2]=4 760 B14R1.5237 COc1ccc(c(c1)C(C)C)OCF 34a_100011998526_100015361967 [1,1,0,0,0,0|1,0,0]=3 761 B14R1.5237 COc1ccc(c(c1)C(C)C)OCF 7a_100011998526_100015361967 [1,1,0,0,0,0|1,0,0]=3 762 B14R1.5237 COc1ccc(c(c1)[C@H](C)N)SCF 62a_100015361967_200015425320 [1,1,0,0,0,0|1,1,0]=4 763 B14R1.5237 COc1ccc(c(c1)[C@H](C)N)SCF 62a_200015425320_100015361967 [1,1,0,0,0,0|1,1,0]=4 764 B14R1.6794 CCNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_100000210202 [1,1,0,0,0,0|2,0,0]=4 765 B14R1.6794 CCNc1ccc(c(c1)C(C)C)OC 34a_100025764739_100000210202 [1,1,0,0,0,0|2,0,0]=4 766 B14R1.6794 CCOc1ccc(c(c1)C(=O)C)OC 34a_100000081070_100000210202 [1,1,0,0,0,0|0,0,2]=4 767 B14R1.6794 CCOc1ccc(c(c1)C(=O)C)OC 7a_100000081070_100000210202 [1,1,0,0,0,0|0,0,2]=4 768 B14R1.6794 CNCc1ccc(c(c1)C(C)C)OC 207a_100102657272_100000083594 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.6794 CNCc1ccc(c(c1)C(C)C)OC 270004a_106832991635_100000083594 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.6794 COc1ccc(cc1C(=O)C)OCF 34a_100000081070_100015361967 [1,1,0,0,0,0|0,0,2]=4 771 B14R1.6794 COc1ccc(cc1C(=O)C)OCF 7a_100000081070_100015361967 [1,1,0,0,0,0|0,0,2]=4 772 B14R1.6794 COc1ccc(cc1C(C)C)NCF 34a_100025764739_100015361967 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.601 CCNC(C)c1cc(ccc1O)OC 269862a_100015525214_100000211518 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.601 CNCC(=O)c1cc(ccc1O)OC 7a_106832991635_100010402061 [1,1,0,0,0,0|0,0,2]=4 775 B16R1.1518 CCCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000766640 [0,1,0,0,0,1|2,0,0]=4 776 B16R1.1518 CCCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100000766640 [0,1,0,0,0,1|2,0,0]=4 777 B16R1.1518 CCCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100000766640 [0,1,0,0,0,1|2,0,0]=4 778 B16R1.1518 CCCC(C)Sc1cc(ccc1OC)OC 62a_100000766640_100011215452 [0,1,0,0,0,1|2,0,0]=4 779 B16R1.1518 CCCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000766640 [0,1,0,0,0,1|2,0,0]=4 780 B16R1.1518 CNCC(=O)Nc1cc(ccc1OC)OC 2230a_106832991635_100000198069 [0,1,0,0,0,1|0,0,2]=4 781 B16R1.1518 CNCC(=O)Nc1cc(ccc1OC)OC 34a_100102657272_100000198069 [0,1,0,0,0,1|0,0,2]=4 782 B16R1.1518 CNCC(=O)Nc1cc(ccc1OC)OC 7a_106832991635_100000198069 [0,1,0,0,0,1|0,0,2]=4 783 B16R1.1518 COCC(C)Nc1cc(ccc1OC)OC 2230a_100000184736_100000765312 [0,1,0,0,0,1|2,0,0]=4 784 B16R1.1518 COCC(C)Nc1cc(ccc1OC)OC 34a_100000184736_100000765312 [0,1,0,0,0,1|2,0,0]=4 785 B16R1.1518 COCC(C)Oc1cc(ccc1OC)OC 34a_100000074795_100000765312 [0,1,0,0,0,1|2,0,0]=4 786 B16R1.1518 COCC(C)Sc1cc(ccc1OC)OC 62a_100000765312_100011215452 [0,1,0,0,0,1|2,0,0]=4 787 B16R1.1518 COCC(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000765312 [0,1,0,0,0,1|2,0,0]=4 788 B16R1.1518 COc1ccc(c(c1)NC(C)CC#N)OC 2230a_100000184736_100009813641 [0,1,0,0,0,1|1,0,1]=4 789 B16R1.1518 COc1ccc(c(c1)NC(C)CCO)OC 2230a_100000184736_100009893172 [0,1,0,0,0,1|2,0,0]=4 790 B16R1.1518 COc1ccc(c(c1)NC(C)CCO)OC 34a_100000184736_100009893172 [0,1,0,0,0,1|2,0,0]=4 791 B16R1.1518 COc1ccc(c(c1)OC(C)CCO)OC 34a_100000074795_100009893172 [0,1,0,0,0,1|2,0,0]=4 792 B16R1.1518 COc1ccc(c(c1)SC(C)CC#N)OC 62a_100009813641_100011215452 [0,1,0,0,0,1|1,0,1]=4 793 B16R1.1518 COc1ccc(c(c1)SC(C)CC#N)OC 62a_100011215452_100009813641 [0,1,0,0,0,1|1,0,1]=4 794 B16R1.1518 COc1ccc(c(c1)SC(C)CCO)OC 62a_100009893172_100011215452 [0,1,0,0,0,1|2,0,0]=4 795 B16R1.1518 COc1ccc(c(c1)SC(C)CCO)OC 62a_100011215452_100009893172 [0,1,0,0,0,1|2,0,0]=4 796 B16R1.5658 COc1ccc(c(c1)NC(C)C(=O)N)OC 2230a_100000184736_100000702099 [0,1,0,0,0,1|1,0,1]=4 797 B16R1.5658 COc1ccc(c(c1)NC(C)C(=O)N)OC 34a_100000184736_100000702099 [0,1,0,0,0,1|1,0,1]=4 798 B16R1.5658 COc1ccc(c(c1)NC(F)C(=O)N)OC 2230a_100000184736_100009813875 [0,1,0,0,0,1|1,0,1]=4 799 B16R1.5658 COc1ccc(c(c1)NC(F)C(=O)N)OC 34a_100000184736_100009813875 [0,1,0,0,0,1|1,0,1]=4 800 B16R1.5658 COc1ccc(c(c1)OC(C)C(=O)N)OC 34a_100000074795_100000702099 [0,1,0,0,0,1|1,0,1]=4 801 B16R1.5658 COc1ccc(c(c1)OC(F)C(=O)N)OC 34a_100000074795_100009813875 [0,1,0,0,0,1|1,0,1]=4 802 B16R1.5658 COc1ccc(c(c1)SC(C)C(=O)N)OC 62a_100000702099_100011215452 [0,1,0,0,0,1|1,0,1]=4 803 B16R1.5658 COc1ccc(c(c1)SC(C)C(=O)N)OC 62a_100011215452_100000702099 [0,1,0,0,0,1|1,0,1]=4 804 B16R1.5658 COc1ccc(c(c1)SC(F)C(=O)N)OC 62a_100009813875_100011215452 [0,1,0,0,0,1|1,0,1]=4 805 B16R1.5658 COc1ccc(c(c1)SC(F)C(=O)N)OC 62a_100011215452_100009813875 [0,1,0,0,0,1|1,0,1]=4 806 B16R1.5667 CCC(CC)Sc1cc(ccc1OC)OC 62a_100000210505_100011215452 [0,1,0,0,0,1|2,0,0]=4 807 B16R1.5667 CCC(CC)Sc1cc(ccc1OC)OC 62a_100011215452_100000210505 [0,1,0,0,0,1|2,0,0]=4 808 B16R1.5673 CCC(C)(C)Sc1cc(ccc1OC)OC 62a_100000032637_100011215452 [0,1,0,0,0,1|2,0,0]=4 809 B16R1.5673 CCC(C)(C)Sc1cc(ccc1OC)OC 62a_100011215452_100000032637 [0,1,0,0,0,1|2,0,0]=4 810 B16R1.5673 COc1ccc(c(c1)SC(F)(F)CO)OC 62a_100011215452_100011217949 [0,1,0,0,0,1|2,0,0]=4 811 B16R1.5673 COc1ccc(c(c1)SC(F)(F)CO)OC 62a_100011217949_100011215452 [0,1,0,0,0,1|2,0,0]=4 812 B16R1.14456 CCC(C)Nc1cc(cc(c1OC)Br)OC 34a_100010294495_100011215416 [0,1,0,0,0,1|2,0,0]=4 813 B16R1.14456 CCC(C)Oc1cc(cc(c1OC)Br)OC 34a_200020900881_100011215416 [0,1,0,0,0,1|2,0,0]=4 814 B16R1.14456 CCC(C)Sc1cc(cc(c1OC)N)OC 62a_100000758301_100010294495 [0,1,0,0,0,1|2,0,0]=4 815 B16R1.14456 CCC(C)Sc1cc(cc(c1OC)N)OC 62a_100010294495_100000758301 [0,1,0,0,0,1|2,0,0]=4 816 B16R1.14456 CCC(C)Sc1cc(cc(c1OC)O)OC 62a_100000758301_200020900881 [0,1,0,0,0,1|2,0,0]=4 817 B16R1.14456 COc1cc(c(c(c1)NC(C)CO)OC)Br 34a_100010294495_100012180447 [0,1,0,0,0,1|2,0,0]=4 818 B16R1.14456 COc1cc(c(c(c1)OC(C)CO)OC)Br 34a_200020900881_100012180447 [0,1,0,0,0,1|2,0,0]=4 819 B16R1.14456 COc1cc(c(c(c1)SC(C)CO)OC)N 62a_100012180447_100010294495 [0,1,0,0,0,1|2,0,0]=4 820 B16R1.14456 COc1cc(c(c(c1)SC(C)CO)OC)O 62a_100012180447_200020900881 [0,1,0,0,0,1|2,0,0]=4 821 B16R1.14456 COc1cc(c(c(c1)S[C@H](C)CO)OC)N 62a_100010294495_100016084084 [0,1,0,0,0,1|2,0,0]=4 822 B16R1.14456 COc1cc(c(c(c1)S[C@H](C)CO)OC)N 62a_100016084084_100010294495 [0,1,0,0,0,1|2,0,0]=4 823 B16R1.14456 COc1cc(c(c(c1)S[C@H](C)CO)OC)O 62a_100016084084_200020900881 [0,1,0,0,0,1|2,0,0]=4 824 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 2230a_100000179761_100000758301 [0,1,0,0,0,1|2,0,0]=4 825 B16R1.20087 CCC(C)Nc1cc(c(cc1OC)Cl)OC 34a_100000179761_100011215416 [0,1,0,0,0,1|2,0,0]=4 826 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 34a_100009816818_100011215416 [0,1,0,0,0,1|2,0,0]=4 827 B16R1.20087 CCC(C)Oc1cc(c(cc1OC)Br)OC 7a_100009816818_100000758301 [0,1,0,0,0,1|2,0,0]=4 828 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100000758301_100013799044 [0,1,0,0,0,1|2,0,0]=4 829 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Br)OC 62a_100013799044_100000758301 [0,1,0,0,0,1|2,0,0]=4 830 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000039368_100000758301 [0,1,0,0,0,1|2,0,0]=4 831 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)C)OC 62a_100000758301_100000039368 [0,1,0,0,0,1|2,0,0]=4 832 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000023288_100000758301 [0,1,0,0,0,1|2,0,0]=4 833 B16R1.20087 CCC(C)Sc1cc(c(cc1OC)Cl)OC 62a_100000758301_100000023288 [0,1,0,0,0,1|2,0,0]=4 834 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 34a_100009816818_100012180447 [0,1,0,0,0,1|2,0,0]=4 835 B16R1.20087 COc1cc(c(cc1Br)OC)OC(C)CO 7a_100009816818_100012180447 [0,1,0,0,0,1|2,0,0]=4 836 B16R1.20087 COc1cc(c(cc1Br)OC)SC(C)CO 62a_100012180447_100013799044 [0,1,0,0,0,1|2,0,0]=4 837 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100013799044_100016084084 [0,1,0,0,0,1|2,0,0]=4 838 B16R1.20087 COc1cc(c(cc1Br)OC)S[C@H](C)CO 62a_100016084084_100013799044 [0,1,0,0,0,1|2,0,0]=4 839 B16R1.20087 COc1cc(c(cc1C)OC)SC(C)CO 62a_100012180447_100000039368 [0,1,0,0,0,1|2,0,0]=4 840 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100000039368_100016084084 [0,1,0,0,0,1|2,0,0]=4 841 B16R1.20087 COc1cc(c(cc1C)OC)S[C@H](C)CO 62a_100016084084_100000039368 [0,1,0,0,0,1|2,0,0]=4 842 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 2230a_100000179761_100012180447 [0,1,0,0,0,1|2,0,0]=4 843 B16R1.20087 COc1cc(c(cc1Cl)OC)NC(C)CO 34a_100000179761_100012180447 [0,1,0,0,0,1|2,0,0]=4 844 B16R1.20087 COc1cc(c(cc1Cl)OC)SC(C)CO 62a_100012180447_100000023288 [0,1,0,0,0,1|2,0,0]=4 845 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100000023288_100016084084 [0,1,0,0,0,1|2,0,0]=4 846 B16R1.20087 COc1cc(c(cc1Cl)OC)S[C@H](C)CO 62a_100016084084_100000023288 [0,1,0,0,0,1|2,0,0]=4 847 B16R1.20146 CCC(C)Sc1c(ccc(c1F)OC)OC 62a_100000758301_200016180952 [0,1,0,0,0,1|2,0,0]=4 848 B16R1.20146 CCC(C)Sc1c(ccc(c1F)OC)OC 62a_200016180952_100000758301 [0,1,0,0,0,1|2,0,0]=4 849 B16R1.20146 COc1ccc(c(c1F)SC(C)CO)OC 62a_100012180447_200016180952 [0,1,0,0,0,1|2,0,0]=4 850 B16R1.20146 COc1ccc(c(c1F)S[C@H](C)CO)OC 62a_100016084084_200016180952 [0,1,0,0,0,1|2,0,0]=4 851 B16R1.20146 COc1ccc(c(c1F)S[C@H](C)CO)OC 62a_200016180952_100016084084 [0,1,0,0,0,1|2,0,0]=4 852 B16R1.20148 CCC(C)C(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000758301 [0,1,0,0,0,1|2,0,0]=4 853 B16R1.20148 CCC(C)N(C)c1cc(ccc1OC)OC 2230a_100000221073_100000758301 [0,1,0,0,0,1|2,0,0]=4 854 B16R1.20148 CCC(C)N(C)c1cc(ccc1OC)OC 269982a_100000221073_100000758301 [0,1,0,0,0,1|2,0,0]=4 855 B16R1.20148 CCC(C)N(C)c1cc(ccc1OC)OC 34a_100000221073_100011215416 [0,1,0,0,0,1|2,0,0]=4 856 B16R1.20148 COc1ccc(c(c1)N(C)C(C)CO)OC 2230a_100000221073_100012180447 [0,1,0,0,0,1|2,0,0]=4 857 B16R1.20148 COc1ccc(c(c1)N(C)C(C)CO)OC 34a_100000221073_100012180447 [0,1,0,0,0,1|2,0,0]=4 858 B16R1.20148 COc1ccc(c(c1)N(C)[C@H](C)CO)OC 269982a_100000221073_100016084084 [0,1,0,0,0,1|2,0,0]=4 859 B16R1.132 CCN(CCO)c1cc(ccc1OC)OC 2230a_200011233031_100000210202 [0,2,0,0,0,0|2,0,0]=4 860 B16R1.132 CCN(CCO)c1cc(ccc1OC)OC 269982a_200011233031_100000204670 [0,2,0,0,0,0|2,0,0]=4 861 B16R1.132 CCN(CCO)c1cc(ccc1OC)OC 34a_200011233031_100000210202 [0,2,0,0,0,0|2,0,0]=4 862 B16R1.132 CCNC(CC)c1cc(ccc1OC)OC 269862a_100015525214_100011206950 [0,2,0,0,0,0|2,0,0]=4 863 B16R1.132 CCOC(CN)c1cc(ccc1OC)OC 34a_100000738559_100000210202 [0,2,0,0,0,0|0,0,0]=2 864 B16R1.132 COc1ccc(c(c1)C(CN)OCF)OC 34a_100000738559_100015361967 [0,2,0,0,0,0|0,0,0]=2 865 B16R1.132 COc1ccc(c(c1)N(CF)CCO)OC 269982a_200011233031_100015361967 [0,2,0,0,0,0|2,0,0]=4 866 B16R1.132 COc1ccc(c(c1)N(CF)CCO)OC 34a_200011233031_100015361967 [0,2,0,0,0,0|2,0,0]=4 867 B16R1.1448 C#CCNC(C)c1cc(ccc1OC)OC 2230a_100000203798_100000038162 [0,2,0,0,0,0|2,0,0]=4 868 B16R1.1448 C#CCOC(C)c1cc(ccc1OC)OC 34a_100000246477_100000184674 [0,2,0,0,0,0|2,0,0]=4 869 B16R1.1448 C#CCOC(C)c1cc(ccc1OC)OC 7a_100000246477_100000038162 [0,2,0,0,0,0|2,0,0]=4 870 B16R1.1448 C=CCNC(C)c1cc(ccc1OC)OC 2230a_100000203798_100000210623 [0,2,0,0,0,0|2,0,0]=4 871 B16R1.1448 C=CCOC(C)c1cc(ccc1OC)OC 34a_100000246477_100015514636 [0,2,0,0,0,0|2,0,0]=4 872 B16R1.1448 C=CCOC(C)c1cc(ccc1OC)OC 7a_100000246477_100015514636 [0,2,0,0,0,0|2,0,0]=4 873 B16R1.1448 CCCNC(C)c1cc(ccc1OC)OC 2230a_100000203798_100000210303 [0,2,0,0,0,0|2,0,0]=4 874 B16R1.1448 CCCNC(C)c1cc(ccc1OC)OC 269862a_100020643023_100000211297 [0,2,0,0,0,0|2,0,0]=4 875 B16R1.1448 CCCOC(C)c1cc(ccc1OC)OC 34a_100000246477_100000210303 [0,2,0,0,0,0|2,0,0]=4 876 B16R1.1448 CCCOC(C)c1cc(ccc1OC)OC 7a_100000246477_100000210303 [0,2,0,0,0,0|2,0,0]=4 877 B16R1.1448 CCNCC(O)c1cc(ccc1OC)OC 2230a_100000738559_100000210202 [0,2,0,0,0,0|0,0,0]=2 878 B16R1.1448 COCNC(C)c1cc(ccc1OC)OC 2230a_100000203798_100000766300 [0,2,0,0,0,0|2,0,0]=4 879 B16R1.1448 COc1ccc(c(c1)C(C)NCC#N)OC 2230a_100000203798_100011215382 [0,2,0,0,0,0|1,0,1]=4 880 B16R1.1448 COc1ccc(c(c1)C(C)NCC=O)OC 2230a_100000203798_200015260668 [0,2,0,0,0,0|2,0,0]=4 881 B16R1.1448 COc1ccc(c(c1)C(C)NCCF)OC 2230a_100000203798_100011217306 [0,2,0,0,0,0|2,0,0]=4 882 B16R1.1448 COc1ccc(c(c1)C(C)NCCF)OC 269862a_100000724931_100000211297 [0,2,0,0,0,0|2,0,0]=4 883 B16R1.1448 COc1ccc(c(c1)C(C)NCCO)OC 2230a_100000203798_100000211926 [0,2,0,0,0,0|2,0,0]=4 884 B16R1.1448 COc1ccc(c(c1)C(C)NCCO)OC 269862a_100000210304_100000211297 [0,2,0,0,0,0|2,0,0]=4 885 B16R1.1448 COc1ccc(c(c1)C(C)NCSC)OC 2230a_100000203798_100011218213 [0,2,0,0,0,0|2,0,0]=4 886 B16R1.1448 COc1ccc(c(c1)C(C)OCC#N)OC 7a_100000246477_100011215382 [0,2,0,0,0,0|1,0,1]=4 887 B16R1.1448 COc1ccc(c(c1)C(C)OCC=O)OC 34a_100000246477_200009817547 [0,2,0,0,0,0|2,0,0]=4 888 B16R1.1448 COc1ccc(c(c1)C(C)OCC=O)OC 7a_100000246477_200015260668 [0,2,0,0,0,0|2,0,0]=4 889 B16R1.1448 COc1ccc(c(c1)C(C)OCCF)OC 34a_100000246477_100011217306 [0,2,0,0,0,0|2,0,0]=4 890 B16R1.1448 COc1ccc(c(c1)C(C)OCCF)OC 7a_100000246477_100011217306 [0,2,0,0,0,0|2,0,0]=4 891 B16R1.1448 COc1ccc(c(c1)C(C)OCCO)OC 34a_100000246477_100000211926 [0,2,0,0,0,0|2,0,0]=4 892 B16R1.1448 COc1ccc(c(c1)C(C)OCCO)OC 7a_100000246477_100000211926 [0,2,0,0,0,0|2,0,0]=4 893 B16R1.1448 COc1ccc(c(c1)C(C)OCSC)OC 34a_100000246477_100011218213 [0,2,0,0,0,0|2,0,0]=4 894 B16R1.20229 COc1ccc(c(c1)C(=O)CC(=O)N)OC 1458a_100000185243_100000187820 [0,2,0,0,0,0|0,0,2]=4 895 B16R1.20229 COc1ccc(c(c1)C(=O)CN(C)C)OC 269982a_100102631434_100000181217 [0,2,0,0,0,0|0,0,2]=4 896 B16R1.20229 COc1ccc(c(c1)C(C)NC(C)C)OC 2230a_100000203798_100000210206 [0,2,0,0,0,0|2,0,0]=4 897 B16R1.20229 COc1ccc(c(c1)C(C)OC(C)C)OC 34a_100000246477_100000210206 [0,2,0,0,0,0|2,0,0]=4 898 B16R1.20229 COc1ccc(c(c1)C(C)OC(C)C)OC 7a_100000246477_100000210206 [0,2,0,0,0,0|2,0,0]=4 899 B16R1.20229 COc1ccc(c(c1)N(C)CC(=O)N)OC 2230a_100000221073_100000747473 [0,2,0,0,0,0|2,0,0]=4 900 B16R1.20229 COc1ccc(c(c1)N(C)CC(=O)N)OC 269982a_100000221073_100000187820 [0,2,0,0,0,0|2,0,0]=4 901 B16R1.20229 COc1ccc(c(c1)N(C)CC(=O)N)OC 34a_100000221073_100000187820 [0,2,0,0,0,0|2,0,0]=4 902 B16R1.20229 COc1ccc(c(c1)[C@@H](N)CC(C)C)OC 271570a_100015190218_100011215452 [0,2,0,0,0,0|2,0,0]=4 903 B16R1.70488 CCNC(C)c1cc(c(cc1OC)Br)OC 269862a_100015525214_100012352748 [0,2,0,0,0,0|2,0,0]=4 904 B14R2.134 COc1ccc2c(c1)C[C@@H](CC2)N 34a_100015730448_200000210301 [1,0,0,1,0,0|1,0,0]=3 905 B14R2.134 [13CH3]Oc1ccc2c(c1)C[C@@H](CC2)N 34a_100015730448_200025704644 [1,0,0,1,0,0|1,0,0]=3 906 B14R2.1747 COc1ccc(c2c1CCC2)OC 34a_100000041694_200000210301 [1,0,0,1,0,0|1,0,0]=3 907 B14R2.1747 COc1ccc(c2c1CCC2)OC 7a_100000041694_200000210301 [1,0,0,1,0,0|1,0,0]=3 908 B14R2.1747 COc1ccc(c2c1CCC2)O[13CH3] 34a_100000041694_200025704644 [1,0,0,1,0,0|1,0,0]=3 909 B14R2.1747 COc1ccc(c2c1CCC2)O[13CH3] 7a_100000041694_200025704644 [1,0,0,1,0,0|1,0,0]=3 910 B14R2.1801 COc1ccc2c(c1)CCNC2=O 34a_100000087030_200000210301 [1,0,0,1,0,0|2,0,0]=4 911 B14R2.1801 COc1ccc2c(c1)CCNC2=O 7a_100000087030_200000210301 [1,0,0,1,0,0|2,0,0]=4 912 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 34a_100000087030_200025704644 [1,0,0,1,0,0|2,0,0]=4 913 B14R2.1801 [13CH3]Oc1ccc2c(c1)CCNC2=O 7a_100000087030_200025704644 [1,0,0,1,0,0|2,0,0]=4 914 B14R2.3519 CCc1ccc(c(c1)C2CC2)OC 271570a_100011220607_100010062400 [1,0,0,1,0,0|2,0,0]=4 915 B14R2.3519 CNc1ccc(c(c1)C2CC2)OC 271570a_100011220607_114948341033 [1,0,0,1,0,0|2,0,0]=4 916 B14R2.3519 COc1ccc(c(c1)C2CC2)OC 271570a_100011220607_100011215452 [1,0,0,1,0,0|1,0,0]=3 917 B14R2.142 C=Cc1ccc2c(c1)C(CCO2)O 271570a_100011290941_100000760992 [1,0,0,1,0,0|1,0,1]=4 918 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200000210301 [1,0,0,1,0,0|0,0,2]=4 919 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200000210301 [1,0,0,1,0,0|0,0,2]=4 920 B14R2.142 CSc1ccc2c(c1)C(CCC2)O 62a_100011660633_200000210301 [1,0,0,1,0,0|1,1,0]=4 921 B14R2.142 CSc1ccc2c(c1)C(CCC2)O 62a_200000210301_100011660633 [1,0,0,1,0,0|1,1,0]=4 922 B14R2.142 CSc1ccc2c(c1)C(CCO2)O 62a_100000760992_200000210301 [1,0,0,1,0,0|0,1,0]=3 923 B14R2.142 CSc1ccc2c(c1)C(CCO2)O 62a_200000210301_100000760992 [1,0,0,1,0,0|0,1,0]=3 924 B14R2.142 CSc1ccc2c(c1)[C@H](CCO2)N 62a_100020639276_200000210301 [1,0,0,1,0,0|1,1,0]=4 925 B14R2.142 CSc1ccc2c(c1)[C@H](CCO2)N 62a_200000210301_100020639276 [1,0,0,1,0,0|1,1,0]=4 926 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200025704644 [1,0,0,1,0,0|0,0,2]=4 927 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200025704644 [1,0,0,1,0,0|0,0,2]=4 928 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCC2)O 62a_100011660633_200025704644 [1,0,0,1,0,0|1,1,0]=4 929 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCC2)O 62a_200025704644_100011660633 [1,0,0,1,0,0|1,1,0]=4 930 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCO2)O 62a_100000760992_200025704644 [1,0,0,1,0,0|0,1,0]=3 931 B14R2.142 [13CH3]Sc1ccc2c(c1)C(CCO2)O 62a_200025704644_100000760992 [1,0,0,1,0,0|0,1,0]=3 932 B14R2.142 [13CH3]Sc1ccc2c(c1)[C@H](CCO2)N 62a_100020639276_200025704644 [1,0,0,1,0,0|1,1,0]=4 933 B14R2.142 [13CH3]Sc1ccc2c(c1)[C@H](CCO2)N 62a_200025704644_100020639276 [1,0,0,1,0,0|1,1,0]=4 934 B16R2.63177 COc1ccc(c(c1)NC2CCC2)OC 34a_100000184736_100000749161 [0,0,0,1,0,1|2,0,0]=4 935 B16R2.63177 COc1ccc(c(c1)NC2COC2)OC 34a_100000184736_100009818527 [0,0,0,1,0,1|2,0,0]=4 936 B16R2.63177 COc1ccc(c(c1)OC2CCC2)OC 34a_100000074795_100000749161 [0,0,0,1,0,1|2,0,0]=4 937 B16R2.63177 COc1ccc(c(c1)OC2COC2)OC 34a_100000074795_100009818527 [0,0,0,1,0,1|2,0,0]=4 938 B16R2.63177 COc1ccc(c(c1)SC2CCC2)OC 62a_100011215452_100000749161 [0,0,0,1,0,1|2,0,0]=4 939 B16R2.63177 COc1ccc(c(c1)SC2COC2)OC 62a_100011215452_100009818527 [0,0,0,1,0,1|2,0,0]=4 940 B16R2.2509 COc1ccc(c(c1)C2=COCC2)OC 271570a_100000118173_100011215452 [0,1,0,1,0,0|1,0,1]=4 941 B16R2.7544 CNC1CCc2ccc(cc2C1C)OC 270004a_106832991635_100000076647 [0,1,0,1,0,0|2,0,0]=4 942 B16R2.116049 CCNC1CCOc2c1cc(cc2)OC 2230a_100015190458_100000210202 [0,1,0,1,0,0|2,0,0]=4 943 B16R2.116049 CCNC1CCOc2c1cc(cc2)OC 34a_100015190458_100000210202 [0,1,0,1,0,0|2,0,0]=4 944 B16R2.116049 COc1ccc2c(c1)C(CCO2)NCF 34a_100015190458_100015361967 [0,1,0,1,0,0|2,0,0]=4 945 B14R1.3279 CCC(C)Nc1cc(ccc1OC)C 2230a_100000210980_100000758301 [1,0,0,0,0,1|2,0,0]=4 946 B14R1.3279 CCC(C)Nc1cc(ccc1OC)C 34a_100000210980_100011215416 [1,0,0,0,0,1|2,0,0]=4 947 B14R1.3279 CCC(C)Oc1cc(ccc1OC)C 34a_100011216497_100011215416 [1,0,0,0,0,1|2,0,0]=4 948 B14R1.3279 CCC(C)Oc1cc(ccc1OC)C 7a_100011216497_100000758301 [1,0,0,0,0,1|2,0,0]=4 949 B14R1.3279 CCC(C)Sc1cc(ccc1OC)C 62a_100000186399_100000758301 [1,0,0,0,0,1|2,0,0]=4 950 B14R1.3279 CCC(C)Sc1cc(ccc1OC)C 62a_100000758301_100000186399 [1,0,0,0,0,1|2,0,0]=4 951 B14R1.3279 CCC(C)Sc1cc(ccc1OC)O 62a_100000758301_100010234764 [1,0,0,0,0,1|2,0,0]=4 952 B14R1.3279 CCC(C)Sc1cc(ccc1OC)O 62a_100010234764_100000758301 [1,0,0,0,0,1|2,0,0]=4 953 B14R1.3279 COc1ccc(cc1NC(C)CO)C 2230a_100000210980_100012180447 [1,0,0,0,0,1|2,0,0]=4 954 B14R1.3279 COc1ccc(cc1NC(C)CO)C 34a_100000210980_100012180447 [1,0,0,0,0,1|2,0,0]=4 955 B14R1.3279 COc1ccc(cc1OC(C)CO)C 34a_100011216497_100012180447 [1,0,0,0,0,1|2,0,0]=4 956 B14R1.3279 COc1ccc(cc1OC(C)CO)C 7a_100011216497_100012180447 [1,0,0,0,0,1|2,0,0]=4 957 B14R1.3279 COc1ccc(cc1SC(C)CO)C 62a_100012180447_100000186399 [1,0,0,0,0,1|2,0,0]=4 958 B14R1.3279 COc1ccc(cc1SC(C)CO)O 62a_100012180447_100010234764 [1,0,0,0,0,1|2,0,0]=4 959 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)C 62a_100000186399_100016084084 [1,0,0,0,0,1|2,0,0]=4 960 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)C 62a_100016084084_100000186399 [1,0,0,0,0,1|2,0,0]=4 961 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)O 62a_100010234764_100016084084 [1,0,0,0,0,1|2,0,0]=4 962 B14R1.3279 COc1ccc(cc1S[C@H](C)CO)O 62a_100016084084_100010234764 [1,0,0,0,0,1|2,0,0]=4 963 B14R1.3724 CCC(C)Nc1cc(ccc1C)OC 2230a_100000760359_100000758301 [1,0,0,0,0,1|2,0,0]=4 964 B14R1.3724 CCC(C)Nc1cc(ccc1C)OC 34a_100000760359_100011215416 [1,0,0,0,0,1|2,0,0]=4 965 B14R1.3724 CCC(C)Nc1cc(ccc1O)OC 34a_100000188146_100011215416 [1,0,0,0,0,1|2,0,0]=4 966 B14R1.3724 CCC(C)Oc1cc(ccc1C)OC 34a_100012179981_100011215416 [1,0,0,0,0,1|2,0,0]=4 967 B14R1.3724 CCC(C)Oc1cc(ccc1C)OC 7a_100012179981_100000758301 [1,0,0,0,0,1|2,0,0]=4 968 B14R1.3724 CCC(C)Sc1cc(ccc1C)OC 62a_100000758301_100012349166 [1,0,0,0,0,1|2,0,0]=4 969 B14R1.3724 CCC(C)Sc1cc(ccc1C)OC 62a_100012349166_100000758301 [1,0,0,0,0,1|2,0,0]=4 970 B14R1.3724 CCC(C)Sc1cc(ccc1O)OC 62a_100000758301_100000685887 [1,0,0,0,0,1|2,0,0]=4 971 B14R1.3724 COc1ccc(c(c1)NC(C)CO)C 2230a_100000760359_100012180447 [1,0,0,0,0,1|2,0,0]=4 972 B14R1.3724 COc1ccc(c(c1)NC(C)CO)C 34a_100000760359_100012180447 [1,0,0,0,0,1|2,0,0]=4 973 B14R1.3724 COc1ccc(c(c1)NC(C)CO)O 34a_100000188146_100012180447 [1,0,0,0,0,1|2,0,0]=4 974 B14R1.3724 COc1ccc(c(c1)OC(C)CO)C 34a_100012179981_100012180447 [1,0,0,0,0,1|2,0,0]=4 975 B14R1.3724 COc1ccc(c(c1)OC(C)CO)C 7a_100012179981_100012180447 [1,0,0,0,0,1|2,0,0]=4 976 B14R1.3724 COc1ccc(c(c1)SC(C)CO)C 62a_100012180447_100012349166 [1,0,0,0,0,1|2,0,0]=4 977 B14R1.3724 COc1ccc(c(c1)SC(C)CO)O 62a_100012180447_100000685887 [1,0,0,0,0,1|2,0,0]=4 978 B14R1.3724 COc1ccc(c(c1)S[C@H](C)CO)C 62a_100012349166_100016084084 [1,0,0,0,0,1|2,0,0]=4 979 B14R1.3724 COc1ccc(c(c1)S[C@H](C)CO)C 62a_100016084084_100012349166 [1,0,0,0,0,1|2,0,0]=4 980 B14R1.3724 COc1ccc(c(c1)S[C@H](C)CO)O 62a_100016084084_100000685887 [1,0,0,0,0,1|2,0,0]=4 981 B16R1.20156 C=CC(O)CNc1cc(ccc1OC)OC 2230a_100000184736_100000730141 [0,0,0,0,0,2|1,0,1]=4 982 B16R1.20156 C=CC(O)CNc1cc(ccc1OC)OC 34a_100000184736_100000730141 [0,0,0,0,0,2|1,0,1]=4 983 B16R1.20156 C=CC(O)COc1cc(ccc1OC)OC 34a_100000074795_100000730141 [0,0,0,0,0,2|1,0,1]=4 984 B16R1.20156 C=CC(O)CSc1cc(ccc1OC)OC 62a_100000730141_100011215452 [0,0,0,0,0,2|1,0,1]=4 985 B16R1.20156 C=CC(O)CSc1cc(ccc1OC)OC 62a_100011215452_100000730141 [0,0,0,0,0,2|1,0,1]=4 986 B16R1.20156 CCC(C)CNc1cc(ccc1OC)OC 2230a_100000184736_100000748023 [0,0,0,0,0,2|2,0,0]=4 987 B16R1.20156 CCC(C)CNc1cc(ccc1OC)OC 34a_100000184736_100000748023 [0,0,0,0,0,2|2,0,0]=4 988 B16R1.20156 CCC(C)COc1cc(ccc1OC)OC 34a_100000074795_100000748023 [0,0,0,0,0,2|2,0,0]=4 989 B16R1.20156 CCC(C)CSc1cc(ccc1OC)OC 62a_100000748023_100011215452 [0,0,0,0,0,2|2,0,0]=4 990 B16R1.20156 CCC(C)CSc1cc(ccc1OC)OC 62a_100011215452_100000748023 [0,0,0,0,0,2|2,0,0]=4 991 B16R1.20156 CCC(C)NCc1cc(ccc1OC)OC 207a_100000209981_100000170336 [0,0,0,0,0,2|2,0,0]=4 992 B16R1.20156 CCC(C)NCc1cc(ccc1OC)OC 270004a_100000209981_100000170336 [0,0,0,0,0,2|2,0,0]=4 993 B16R1.20156 CCC(C)NCc1cc(ccc1OC)OC 34a_100000185951_100011215416 [0,0,0,0,0,2|2,0,0]=4 994 B16R1.20156 CCC(C)OCc1cc(ccc1OC)OC 34a_100000212306_100011215416 [0,0,0,0,0,2|2,0,0]=4 995 B16R1.20156 CCC(C)OCc1cc(ccc1OC)OC 7a_100000210228_100000205131 [0,0,0,0,0,2|2,0,0]=4 996 B16R1.20156 CCC(C)SCc1cc(ccc1OC)OC 62a_100000205131_100000758301 [0,0,0,0,0,2|2,0,0]=4 997 B16R1.20156 CCC(C)SCc1cc(ccc1OC)OC 62a_100000758301_100011233847 [0,0,0,0,0,2|2,0,0]=4 998 B16R1.20156 CCC(O)CNc1cc(ccc1OC)OC 2230a_100000184736_100011218378 [0,0,0,0,0,2|1,0,0]=3 999 B16R1.20156 CCC(O)CNc1cc(ccc1OC)OC 34a_100000184736_100011218378 [0,0,0,0,0,2|1,0,0]=3 1000 B16R1.20156 CCC(O)COc1cc(ccc1OC)OC 34a_100000074795_100011218378 [0,0,0,0,0,2|1,0,0]=3 1001 B16R1.20156 CCC(O)CSc1cc(ccc1OC)NC 62a_100011218378_114948341033 [0,0,0,0,0,2|2,0,0]=4 1002 B16R1.20156 CCC(O)CSc1cc(ccc1OC)NC 62a_114948341033_100011218378 [0,0,0,0,0,2|2,0,0]=4 1003 B16R1.20156 CCC(O)CSc1cc(ccc1OC)OC 62a_100011215452_100011218378 [0,0,0,0,0,2|1,0,0]=3 1004 B16R1.20156 CCC(O)CSc1cc(ccc1OC)OC 62a_100011218378_100011215452 [0,0,0,0,0,2|1,0,0]=3 1005 B16R1.20156 CC[C@H](C)CNc1cc(ccc1OC)OC 2230a_100000184736_100009816398 [0,0,0,0,0,2|2,0,0]=4 1006 B16R1.20156 CC[C@H](C)CNc1cc(ccc1OC)OC 34a_100000184736_100009816398 [0,0,0,0,0,2|2,0,0]=4 1007 B16R1.20156 CC[C@H](C)COc1cc(ccc1OC)OC 34a_100000074795_100009816398 [0,0,0,0,0,2|2,0,0]=4 1008 B16R1.20156 CC[C@H](C)CSc1cc(ccc1OC)OC 62a_100009816398_100011215452 [0,0,0,0,0,2|2,0,0]=4 1009 B16R1.20156 CC[C@H](C)CSc1cc(ccc1OC)OC 62a_100011215452_100009816398 [0,0,0,0,0,2|2,0,0]=4 1010 B16R1.20156 CCc1ccc(c(c1)NCC(O)CC)OC 2230a_100012035449_100011218378 [0,0,0,0,0,2|2,0,0]=4 1011 B16R1.20156 CCc1ccc(c(c1)NCC(O)CC)OC 34a_100012035449_100011218378 [0,0,0,0,0,2|2,0,0]=4 1012 B16R1.20156 CCc1ccc(c(c1)NCC(O)CO)OC 2230a_100012035449_100011219619 [0,0,0,0,0,2|2,0,0]=4 1013 B16R1.20156 CCc1ccc(c(c1)NCC(O)CO)OC 34a_100012035449_100011219619 [0,0,0,0,0,2|2,0,0]=4 1014 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CF)OC 2230a_100012035449_100015614560 [0,0,0,0,0,2|2,0,0]=4 1015 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CF)OC 34a_100012035449_100015614560 [0,0,0,0,0,2|2,0,0]=4 1016 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CO)OC 2230a_100012035449_100009815848 [0,0,0,0,0,2|2,0,0]=4 1017 B16R1.20156 CCc1ccc(c(c1)NC[C@@H](O)CO)OC 34a_100012035449_100009815848 [0,0,0,0,0,2|2,0,0]=4 1018 B16R1.20156 CCc1ccc(c(c1)OCC(O)CC)OC 34a_100009844796_100011218378 [0,0,0,0,0,2|2,0,0]=4 1019 B16R1.20156 CCc1ccc(c(c1)OCC(O)CC)OC 7a_100009844796_100011218378 [0,0,0,0,0,2|2,0,0]=4 1020 B16R1.20156 CCc1ccc(c(c1)OCC(O)CO)OC 34a_100009844796_100011219619 [0,0,0,0,0,2|2,0,0]=4 1021 B16R1.20156 CCc1ccc(c(c1)OCC(O)CO)OC 7a_100009844796_100011219619 [0,0,0,0,0,2|2,0,0]=4 1022 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CF)OC 34a_100009844796_100015614560 [0,0,0,0,0,2|2,0,0]=4 1023 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CF)OC 7a_100009844796_100015614560 [0,0,0,0,0,2|2,0,0]=4 1024 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CO)OC 34a_100009844796_100009815848 [0,0,0,0,0,2|2,0,0]=4 1025 B16R1.20156 CCc1ccc(c(c1)OC[C@@H](O)CO)OC 7a_100009844796_100009815848 [0,0,0,0,0,2|2,0,0]=4 1026 B16R1.20156 CCc1ccc(c(c1)SCC(O)CC)OC 62a_100010062400_100011218378 [0,0,0,0,0,2|2,0,0]=4 1027 B16R1.20156 CCc1ccc(c(c1)SCC(O)CC)OC 62a_100011218378_100010062400 [0,0,0,0,0,2|2,0,0]=4 1028 B16R1.20156 CCc1ccc(c(c1)SCC(O)CO)OC 62a_100010062400_100011219619 [0,0,0,0,0,2|2,0,0]=4 1029 B16R1.20156 CCc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_100010062400 [0,0,0,0,0,2|2,0,0]=4 1030 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100010062400_100015614560 [0,0,0,0,0,2|2,0,0]=4 1031 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_100010062400 [0,0,0,0,0,2|2,0,0]=4 1032 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_100010062400 [0,0,0,0,0,2|2,0,0]=4 1033 B16R1.20156 CCc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100010062400_100009815848 [0,0,0,0,0,2|2,0,0]=4 1034 B16R1.20156 CNc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_114948341033 [0,0,0,0,0,2|2,0,0]=4 1035 B16R1.20156 CNc1ccc(c(c1)SCC(O)CO)OC 62a_114948341033_100011219619 [0,0,0,0,0,2|2,0,0]=4 1036 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_114948341033 [0,0,0,0,0,2|2,0,0]=4 1037 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_114948341033_100015614560 [0,0,0,0,0,2|2,0,0]=4 1038 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_114948341033 [0,0,0,0,0,2|2,0,0]=4 1039 B16R1.20156 CNc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_114948341033_100009815848 [0,0,0,0,0,2|2,0,0]=4 1040 B16R1.20156 COc1ccc(c(c1)CNC(C)CO)OC 34a_100000185951_100012180447 [0,0,0,0,0,2|2,0,0]=4 1041 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CF)OC 207a_100102880703_100000170336 [0,0,0,0,0,2|2,0,0]=4 1042 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CF)OC 270004a_100102880703_100000170336 [0,0,0,0,0,2|2,0,0]=4 1043 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CO)OC 207a_100000737577_100000170336 [0,0,0,0,0,2|2,0,0]=4 1044 B16R1.20156 COc1ccc(c(c1)CN[C@H](C)CO)OC 270004a_100000737577_100000170336 [0,0,0,0,0,2|2,0,0]=4 1045 B16R1.20156 COc1ccc(c(c1)COC(C)CF)OC 34a_100016041109_100011233847 [0,0,0,0,0,2|2,0,0]=4 1046 B16R1.20156 COc1ccc(c(c1)COC(C)CF)OC 7a_100016041109_100000205131 [0,0,0,0,0,2|2,0,0]=4 1047 B16R1.20156 COc1ccc(c(c1)COC(C)CN)OC 34a_100000210904_100011233847 [0,0,0,0,0,2|1,0,0]=3 1048 B16R1.20156 COc1ccc(c(c1)COC(C)CO)OC 34a_100000212306_100012180447 [0,0,0,0,0,2|2,0,0]=4 1049 B16R1.20156 COc1ccc(c(c1)CSC(C)CO)OC 62a_100012180447_100011233847 [0,0,0,0,0,2|2,0,0]=4 1050 B16R1.20156 COc1ccc(c(c1)CS[C@H](C)CO)OC 62a_100000205131_100016084084 [0,0,0,0,0,2|2,0,0]=4 1051 B16R1.20156 COc1ccc(c(c1)CS[C@H](C)CO)OC 62a_100016084084_100011233847 [0,0,0,0,0,2|2,0,0]=4 1052 B16R1.20156 COc1ccc(c(c1)NCC(O)CO)OC 2230a_100000184736_100011219619 [0,0,0,0,0,2|1,0,0]=3 1053 B16R1.20156 COc1ccc(c(c1)NCC(O)CO)OC 34a_100000184736_100011219619 [0,0,0,0,0,2|1,0,0]=3 1054 B16R1.20156 COc1ccc(c(c1)NC[C@@H](C)CO)OC 2230a_100000184736_100000059175 [0,0,0,0,0,2|2,0,0]=4 1055 B16R1.20156 COc1ccc(c(c1)NC[C@@H](C)CO)OC 34a_100000184736_100000059175 [0,0,0,0,0,2|2,0,0]=4 1056 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CF)OC 2230a_100000184736_100015614560 [0,0,0,0,0,2|1,0,0]=3 1057 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CF)OC 34a_100000184736_100015614560 [0,0,0,0,0,2|1,0,0]=3 1058 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CO)OC 2230a_100000184736_100009815848 [0,0,0,0,0,2|1,0,0]=3 1059 B16R1.20156 COc1ccc(c(c1)NC[C@@H](O)CO)OC 34a_100000184736_100009815848 [0,0,0,0,0,2|1,0,0]=3 1060 B16R1.20156 COc1ccc(c(c1)OCC(O)CO)OC 34a_100000074795_100011219619 [0,0,0,0,0,2|1,0,0]=3 1061 B16R1.20156 COc1ccc(c(c1)OC[C@@H](C)CO)OC 34a_100000074795_100000059175 [0,0,0,0,0,2|2,0,0]=4 1062 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CF)OC 34a_100000074795_100015614560 [0,0,0,0,0,2|1,0,0]=3 1063 B16R1.20156 COc1ccc(c(c1)OC[C@@H](O)CO)OC 34a_100000074795_100009815848 [0,0,0,0,0,2|1,0,0]=3 1064 B16R1.20156 COc1ccc(c(c1)SCC(O)CO)OC 62a_100011215452_100011219619 [0,0,0,0,0,2|1,0,0]=3 1065 B16R1.20156 COc1ccc(c(c1)SCC(O)CO)OC 62a_100011219619_100011215452 [0,0,0,0,0,2|1,0,0]=3 1066 B16R1.20156 COc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100000059175_100011215452 [0,0,0,0,0,2|2,0,0]=4 1067 B16R1.20156 COc1ccc(c(c1)SC[C@@H](C)CO)OC 62a_100011215452_100000059175 [0,0,0,0,0,2|2,0,0]=4 1068 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100011215452_100015614560 [0,0,0,0,0,2|1,0,0]=3 1069 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CF)OC 62a_100015614560_100011215452 [0,0,0,0,0,2|1,0,0]=3 1070 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100009815848_100011215452 [0,0,0,0,0,2|1,0,0]=3 1071 B16R1.20156 COc1ccc(c(c1)SC[C@@H](O)CO)OC 62a_100011215452_100009815848 [0,0,0,0,0,2|1,0,0]=3