0 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|2,0,0]=3 1 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|2,0,0]=3 2 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|0,0,1]=2 3 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|0,0,1]=2 4 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|0,0,1]=2 5 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|0,0,1]=2 6 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,1,0,0,0,0|1,0,0]=2 7 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,1,0,0,0,0|1,0,0]=2 8 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|1,0,0]=2 9 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|1,0,0]=2 11 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|1,0,0]=2 19 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|0,0,1]=3 20 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|0,0,1]=3 21 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|0,0,1]=3 22 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|0,0,1]=3 23 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|0,0,1]=3 24 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|0,0,1]=3 25 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 26 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 27 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 28 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 29 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 30 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|2,0,0]=4 32 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,1,0,0,0,0|1,0,0]=3 34 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,1,0,0,0,0|1,0,0]=3 35 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,1,0,0,0,0|1,0,0]=3 38 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|2,0,0]=4 39 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|2,0,0]=4 40 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|2,0,0]=4 41 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,1,0,0,0,0|0,0,1]=3 42 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,1,0,0,0,0|0,0,1]=3 43 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,1,0,0,0,0|0,0,1]=3 44 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,1,0,0,0,0|0,0,1]=3 45 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,1,0,0,0,0|0,0,1]=3 46 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,1,0,0,0,0|0,0,1]=3 47 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,1,0,0,0,0|0,0,1]=3 48 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,1,0,0,0,0|2,0,0]=4 49 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,1,0,0,0,0|2,0,0]=4 50 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,1,0,0,0,0|2,0,0]=4 51 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,1,0,0,0,0|2,0,0]=4 52 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,1,0,0,0,0|1,0,0]=3 55 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,1,0,0,0,0|1,0,0]=3 56 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,1,0,0,0,0|1,0,0]=3 57 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,1,0,0,0,0|1,0,0]=3 58 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,1,0,0,0,0|1,0,0]=3 59 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,1,0,0,0,0|1,0,0]=3 60 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,1,0,0,0,0|1,0,0]=3 61 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,2,0,0,0,0|2,0,0]=4 70 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|2,0,0]=4 71 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|2,0,0]=4 94 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,2,0,0,0,0|0,0,0]=2 103 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,2,0,0,0,0|0,0,0]=2 107 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,2,0,0,0,0|0,0,0]=2 108 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|1,0,0]=3 114 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 126 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,2,0,0,0,0|1,0,1]=4 130 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,2,0,0,0,0|1,0,1]=4 131 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|1,0,1]=4 135 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,2,0,0,0,0|1,0,1]=4 136 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,2,0,0,0,0|1,0,1]=4 137 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,2,0,0,0,0|1,0,1]=4 138 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|1,0,0]=3 141 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|1,0,0]=3 142 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|1,0,0]=3 143 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|1,0,0]=3 145 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,2,0,0,0,0|1,0,0]=3 147 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,2,0,0,0,0|1,0,0]=3 148 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,2,0,0,0,0|1,0,0]=3 149 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,2,0,0,0,0|1,0,1]=4 150 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,2,0,0,0,0|1,0,1]=4 151 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,2,0,0,0,0|1,0,1]=4 153 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,2,0,0,0,0|1,0,1]=4 154 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,2,0,0,0,0|1,0,1]=4 156 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,2,0,0,0,0|1,0,1]=4 157 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|1,0,0]=3 159 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|1,0,0]=3