0 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [1,0,0,0,0,0|0,0,2]=3 1 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [1,0,0,0,0,0|0,0,2]=3 2 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [1,0,0,0,0,0|1,0,0]=2 3 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [1,0,0,0,0,0|1,0,0]=2 4 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [1,0,0,0,0,0|1,0,0]=2 5 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [1,0,0,0,0,0|1,0,0]=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|0,0,0]=1 8 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,1,0,0,0,0|0,0,0]=1 9 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,1,0,0,0,0|0,1,0]=2 10 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,1,0,0,0,0|0,1,0]=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 CNC(F)(F)F 34a_100102657272_200103152311 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.4 CNC(F)(F)F 7a_106832991635_200000243211 [0,1,0,0,0,0|3,0,0]=4 15 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,1,0,0,0,0|0,0,0]=1 17 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,1,0,0,0,0|0,0,0]=1 18 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,1,0,0,0,0|0,0,0]=1 19 B5R0.4 COC(F)(F)F 34a_100138415774_200103152311 [0,1,0,0,0,0|3,0,0]=4 20 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,1,0,0,0,0|0,1,0]=2 21 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,1,0,0,0,0|0,1,0]=2 22 B5R0.4 CSC(F)(F)F 62a_200000210301_200103152311 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.4 CSC(F)(F)F 62a_200000243211_200000210301 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.4 [13CH3]SC(F)(F)F 62a_200000243211_200025704644 [0,1,0,0,0,0|3,0,0]=4 25 B5R0.4 [13CH3]SC(F)(F)F 62a_200025704644_200103152311 [0,1,0,0,0,0|3,0,0]=4 26 B2R0.1 CNC 2230a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 27 B2R0.1 CNC 34a_100102657272_200000210301 [2,0,0,0,0,0|1,0,0]=3 28 B2R0.1 CNC 7a_106832991635_200000210301 [2,0,0,0,0,0|1,0,0]=3 29 B2R0.1 CN[13CH3] 2230a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 30 B2R0.1 CN[13CH3] 34a_100102657272_200025704644 [2,0,0,0,0,0|1,0,0]=3 31 B2R0.1 CN[13CH3] 7a_106832991635_200025704644 [2,0,0,0,0,0|1,0,0]=3 32 B2R0.1 COC 34a_100138415774_200000210301 [2,0,0,0,0,0|1,0,0]=3 33 B2R0.1 CO[13CH3] 34a_100138415774_200025704644 [2,0,0,0,0,0|1,0,0]=3 34 B2R0.1 CSC 62a_200000210301_200000210301 [2,0,0,0,0,0|1,0,0]=3 35 B2R0.1 CS[13CH3] 62a_200000210301_200025704644 [2,0,0,0,0,0|1,0,0]=3 36 B2R0.1 CS[13CH3] 62a_200025704644_200000210301 [2,0,0,0,0,0|1,0,0]=3 37 B2R0.1 [13CH3]S[13CH3] 62a_200025704644_200025704644 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,1,0,0,0,0|0,0,2]=4 39 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,1,0,0,0,0|0,0,2]=4 40 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,1,0,0,0,0|0,0,0]=2 41 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,1,0,0,0,0|0,0,0]=2 42 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,1,0,0,0,0|0,0,0]=2 43 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,1,0,0,0,0|0,0,0]=2 44 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,1,0,0,0,0|0,0,0]=2 45 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,1,0,0,0,0|0,0,2]=4 46 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,1,0,0,0,0|0,0,2]=4 47 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,1,0,0,0,0|0,0,2]=4 48 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,1,0,0,0,0|1,0,0]=3 49 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,1,0,0,0,0|1,0,0]=3 50 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,1,0,0,0,0|1,0,0]=3 51 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,1,0,0,0,0|1,0,0]=3 52 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,1,0,0,0,0|1,0,0]=3 55 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,1,0,0,0,0|0,0,2]=4 56 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,1,0,0,0,0|0,0,2]=4 57 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,1,0,0,0,0|0,0,2]=4 58 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,1,0,0,0,0|0,0,2]=4 59 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,1,0,0,0,0|0,0,0]=2 60 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,1,0,0,0,0|0,0,0]=2 61 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,1,0,0,0,0|0,0,0]=2 62 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,1,0,0,0,0|0,0,0]=2 63 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,1,0,0,0,0|0,0,0]=2 64 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,1,0,0,0,0|0,0,0]=2 65 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,1,0,0,0,0|0,0,0]=2 66 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,1,0,0,0,0|0,0,0]=2 67 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,1,0,0,0,0|0,0,0]=2 68 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,1,0,0,0,0|0,0,2]=4 69 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,2,0,0,0,0|0,1,0]=3 71 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,2,0,0,0,0|0,1,0]=3 72 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,2,0,0,0,0|0,0,0]=2 74 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,2,0,0,0,0|0,1,0]=3 75 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,2,0,0,0,0|0,1,0]=3 76 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,2,0,0,0,0|0,0,0]=2 82 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,2,0,0,0,0|0,0,0]=2 83 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,2,0,0,0,0|0,0,0]=2 87 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,2,0,0,0,0|0,0,0]=2 88 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,2,0,0,0,0|0,1,0]=3 89 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,2,0,0,0,0|0,1,0]=3 90 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,2,0,0,0,0|1,0,0]=3 94 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,2,0,0,0,0|0,0,0]=2 96 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,2,0,0,0,0|0,0,0]=2 97 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,2,0,0,0,0|0,0,0]=2 98 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [0,2,0,0,0,0|1,1,0]=4 99 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [0,2,0,0,0,0|1,1,0]=4 100 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,2,0,0,0,0|0,0,0]=2 101 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,2,0,0,0,0|1,0,0]=3 103 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,2,0,0,0,0|0,1,0]=3 106 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,2,0,0,0,0|0,1,0]=3 107 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,2,0,0,0,0|0,0,0]=2 110 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,2,0,0,0,0|0,0,0]=2 111 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,2,0,0,0,0|1,1,0]=4 112 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,2,0,0,0,0|1,1,0]=4 113 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,2,0,0,0,0|0,2,0]=4 114 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,2,0,0,0,0|0,2,0]=4 115 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,2,0,0,0,0|1,1,0]=4 116 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,2,0,0,0,0|1,1,0]=4 117 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,2,0,0,0,0|0,2,0]=4 118 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,2,0,0,0,0|0,2,0]=4 119 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,2,0,0,0,0|0,0,1]=3 120 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,2,0,0,0,0|1,0,0]=3 121 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,2,0,0,0,0|0,0,1]=3 123 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,2,0,0,0,0|0,0,0]=2 125 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,2,0,0,0,0|0,0,1]=3 132 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,2,0,0,0,0|0,0,1]=3 133 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,2,0,0,0,0|0,0,1]=3 134 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,2,0,0,0,0|0,0,1]=3 135 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,2,0,0,0,0|0,0,1]=3 136 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,2,0,0,0,0|1,0,0]=3 137 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,2,0,0,0,0|0,0,1]=3 141 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,2,0,0,0,0|0,0,1]=3 142 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,2,0,0,0,0|0,0,1]=3 143 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,2,0,0,0,0|0,0,1]=3 144 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,2,0,0,0,0|0,0,1]=3 145 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,2,0,0,0,0|1,0,0]=3 147 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,2,0,0,0,0|0,0,0]=2 148 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,2,0,0,0,0|0,0,0]=2 149 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,2,0,0,0,0|1,0,0]=3 150 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,2,0,0,0,0|1,0,0]=3 151 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,2,0,0,0,0|1,0,0]=3 152 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,2,0,0,0,0|0,0,0]=2 153 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,2,0,0,0,0|0,0,0]=2 154 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,2,0,0,0,0|0,1,0]=3 155 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,2,0,0,0,0|0,1,0]=3 156 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,2,0,0,0,0|0,1,0]=3 157 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,2,0,0,0,0|0,1,0]=3 158 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,2,0,0,0,0|1,0,0]=3 159 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,2,0,0,0,0|1,0,0]=3 160 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,2,0,0,0,0|0,0,0]=2 161 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,2,0,0,0,0|0,0,1]=3 162 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,2,0,0,0,0|0,0,1]=3 163 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,2,0,0,0,0|0,0,0]=2 164 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,2,0,0,0,0|1,0,0]=3 165 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,2,0,0,0,0|1,0,0]=3 166 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [0,2,0,0,0,0|2,0,0]=4 167 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [0,2,0,0,0,0|2,0,0]=4 168 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [0,2,0,0,0,0|2,0,0]=4 169 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [0,2,0,0,0,0|2,0,0]=4 170 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,1,0,1,0,0|1,0,0]=3 171 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,1,0,1,0,0|0,0,0]=2 172 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,1,0,1,0,0|1,0,0]=3 173 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,1,0,1,0,0|0,0,0]=2