0 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.9 CN(C)C[N+](C)(C)C 269982a_100102631434_200000036245 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.9 CN(C)C[Si](C)(C)C 2230a_100102631434_100000037933 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.9 CN(C)C[Si](C)(C)C 269982a_200020589227_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.9 CN([13CH3])C[Si](C)(C)C 269982a_200020589227_200025704644 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|0,0,1]=2 59 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|0,0,1]=2 64 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.24 C#CC(=O)C[Si](C)(C)C 1458a_100000211873_100000233785 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,1,0,0,0,0|2,0,0]=3 94 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,1,0,0,0,0|3,0,0]=4 103 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,1,0,0,0,0|3,0,0]=4 105 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,1,0,0,0,0|3,0,0]=4 106 B8R0.24 CCN(C)C[N+](C)(C)C 269982a_100000225621_200000036245 [0,1,0,0,0,0|3,0,0]=4 107 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,1,0,0,0,0|2,0,0]=3 109 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,1,0,0,0,0|3,0,0]=4 112 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,1,0,0,0,0|2,0,0]=3 117 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.34 C=C[Si](C)(C)CC(=O)C 1458a_100000070787_100000038793 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,0|3,0,0]=4 134 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,0|2,0,0]=3 138 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|2,0,0]=3 157 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,0,0,0,1,0|2,0,0]=3 158 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,0,0,0,1,0|3,0,0]=4 159 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,0,0,0,1,0|3,0,0]=4 160 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,0,0,0,1,0|2,0,0]=3 161 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,0,0,0,1,0|3,0,0]=4 162 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,0,0,0,1,0|3,0,0]=4 163 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,0,0,0,0,1|3,0,0]=4 164 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,0,0,0,0,1|3,0,0]=4 165 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,0,0,0,0,1|3,0,0]=4 166 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,0,0,0,0,1|3,0,0]=4 167 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,0,0,0,0,1|3,0,0]=4 168 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,0,0,0,0,1|3,0,0]=4 169 B8R0.29 C=C(F)CNC(C)(C)C 2230a_100000715429_100009893438 [0,0,0,0,0,1|3,0,0]=4 170 B8R0.29 C=C(F)COC(C)(C)C 34a_100015890283_100009893438 [0,0,0,0,0,1|3,0,0]=4 171 B8R0.29 C=C(F)COC(C)(C)C 34a_200010262243_100000210625 [0,0,0,0,0,1|3,0,0]=4 172 B8R0.29 C=C(F)COC(C)(C)C 7a_100015890283_100000042424 [0,0,0,0,0,1|3,0,0]=4 173 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000042424_100000211941 [0,0,0,0,0,1|3,0,0]=4 174 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000211941_100000042424 [0,0,0,0,0,1|3,0,0]=4 175 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,0,0,0,0,1|2,0,1]=4 176 B8R0.29 CC(=O)C#C[Si](C)(C)C 1458a_100000039808_200000210301 [0,0,0,0,0,1|2,0,1]=4 177 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,0,0,0,0,1|2,0,0]=3 178 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,0,0,0,0,1|2,0,0]=3 179 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,0,0,0,0,1|1,0,0]=2 180 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,0,0,0,0,1|2,0,0]=3 181 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,0,0,0,0,1|2,0,0]=3 182 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,0,0,0,0,1|2,0,0]=3 183 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,0,0,0,0,1|2,0,0]=3 184 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,0,0,0,0,1|2,0,0]=3 185 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,0,0,0,0,1|2,0,0]=3 186 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,0,0,0,0,1|2,0,0]=3 187 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,0,0,0,0,1|2,0,0]=3 188 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,0,0,0,0,1|3,0,0]=4 189 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,0,0,0,0,1|3,0,0]=4 190 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,0,0,0,0,1|3,0,0]=4 191 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,0,0,0,0,1|3,0,0]=4 192 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,0,0,0,0,1|3,0,0]=4 193 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,0,0,0,0,1|3,0,0]=4 194 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,0,0,0,0,1|3,0,0]=4 195 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,0,0,0,0,1|2,0,0]=3 196 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,0,0,0,0,1|2,0,0]=3 197 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,0,0,0,0,1|2,0,0]=3 198 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,0,0,0,0,1|2,0,0]=3 199 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,0,0,0,0,1|3,0,0]=4 200 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,0,0,0,0,1|2,0,1]=4 201 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,0,0,0,0,1|2,0,0]=3 202 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,0,0,0,0,1|2,0,0]=3 203 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,0,0,0,0,1|1,0,0]=2 204 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,0,0,0,0,1|2,0,0]=3 205 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,0,0,0,0,1|2,0,0]=3 206 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,0,0,0,0,1|2,0,0]=3 207 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,0,0,0,0,1|1,0,1]=3 208 B8R0.29 CC(C)(C)OC[N+](=O)[O-] 34a_100015890283_100000761209 [0,0,0,0,0,1|2,0,1]=4 209 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,0,0,0,0,1|2,0,0]=3 210 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,0,0,0,0,1|2,0,0]=3 211 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,0,0,0,0,1|1,0,1]=3 212 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,0,0,0,0,1|1,0,1]=3 213 B8R0.29 CC(C)(C)SC[N+](=O)[O-] 62a_100000211941_100000761209 [0,0,0,0,0,1|2,0,1]=4 214 B8R0.29 CC(C)SC[N+](C)(C)C 62a_100000210206_200000036245 [0,0,0,0,0,1|2,0,1]=4 215 B8R0.29 CC(C)SC[N+](C)(C)C 62a_200000036245_100000210206 [0,0,0,0,0,1|2,0,1]=4 216 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,0,0,0,0,1|2,0,1]=4 217 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,0,0,0,0,1|2,0,1]=4 218 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,0,0,0,0,1|2,0,1]=4 219 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,0,0,0,0,1|2,0,1]=4 220 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,0,0,0,0,1|2,0,1]=4 221 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,0,0,0,0,1|2,0,1]=4 222 B8R0.29 CN(C)CC[N+](C)(C)C 269982a_100102631434_100000085578 [0,0,0,0,0,1|3,0,0]=4 223 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,0,0,0,0,1|2,0,1]=4 224 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,0,0,0,0,1|2,0,1]=4 225 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,0,0,0,0,1|2,0,1]=4 226 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,0,0,0,0,1|2,0,1]=4 227 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,0,0,0,0,1|2,0,1]=4 228 B8R0.29 C[Si](C)(C)C#CC(=O)[13CH3] 1458a_100000039808_200025704644 [0,0,0,0,0,1|2,0,1]=4 229 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,0,0,0,0,1|2,0,0]=3 230 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|0,0,1]=3 241 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|0,0,1]=3 242 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|0,0,2]=4 243 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|0,0,2]=4 244 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|0,0,2]=4 245 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|0,0,2]=4 246 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|0,0,2]=4 247 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|0,0,2]=4 248 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|0,0,1]=3 253 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|0,0,2]=4 254 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 256 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 264 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|0,0,1]=3 267 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 268 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 271 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|0,0,1]=3 293 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|0,0,1]=3 294 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|0,0,2]=4 296 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|0,0,1]=3 297 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|2,0,0]=4 298 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|0,0,1]=3 300 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,1,0,0,0,0|0,0,2]=4 301 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 304 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|1,0,1]=4 307 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|1,0,1]=4 309 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|1,0,1]=4 312 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 314 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|2,0,0]=4 319 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|0,0,1]=3 320 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|0,0,1]=3 321 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|0,0,1]=3 322 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|0,0,1]=3 323 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,1,0,0,0,0|0,0,2]=4 325 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|2,0,0]=4 326 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,1,0,0,0,0|1,0,1]=4 328 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|2,0,0]=4 330 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,1,0,0,0,0|1,0,1]=4 332 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|0,0,1]=3 333 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|0,0,1]=3 334 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|2,0,0]=4 335 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [1,1,0,0,0,0|1,0,1]=4 338 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [1,1,0,0,0,0|2,0,0]=4 342 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [1,1,0,0,0,0|2,0,0]=4 345 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [1,1,0,0,0,0|1,0,1]=4 349 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,0]=3 351 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,0]=3 354 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,0]=3 355 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.8 CCSC[N+](C)(C)C 62a_100000210202_200000036245 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.8 CCSC[N+](C)(C)C 62a_200000036245_100000210202 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.8 CNCC[N+](C)(C)C 34a_100102657272_100000085578 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.8 CNCC[N+](C)(C)C 7a_106832991635_100000085578 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|1,0,1]=4 362 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [1,1,0,0,0,0|0,0,1]=3 364 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [1,1,0,0,0,0|0,0,1]=3 365 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [1,1,0,0,0,0|0,1,1]=4 368 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [1,1,0,0,0,0|0,1,1]=4 369 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [1,1,0,0,0,0|0,0,1]=3 370 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [1,1,0,0,0,0|0,1,1]=4 371 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [1,1,0,0,0,0|0,1,1]=4 372 B7R0.8 C[N+](C)(C)CSCF 62a_100015361967_200000036245 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.8 C[N+](C)(C)CSCF 62a_200000036245_100015361967 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,1,0|2,0,0]=4 378 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,1,0|2,0,0]=4 379 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,1,0|2,0,0]=4 380 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,1,0|2,0,0]=4 381 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,1,0|2,0,0]=4 382 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,1,0|2,0,0]=4 383 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,1,0|2,0,0]=4 384 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,1,0|2,0,0]=4 385 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,1,0|2,0,0]=4 386 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,1,0|2,0,0]=4 387 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,0,0,1,0|2,0,0]=4 388 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,0,0,1,0|2,0,0]=4 389 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,0,0,1,0|2,0,0]=4 390 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,0,0,1,0|2,0,0]=4 391 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,1,0|2,0,0]=4 392 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,1,0|2,0,0]=4 393 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,1,0|2,0,0]=4 394 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,1,0|2,0,0]=4 395 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,1,0|2,0,0]=4 396 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,1,0|2,0,0]=4 397 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,1,0|2,0,0]=4 398 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,1,0|2,0,0]=4 399 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,1,0|2,0,0]=4 400 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,1,0|2,0,0]=4 401 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,1,0|2,0,0]=4 402 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,0,0,1,0|2,0,0]=4 403 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,0,0,1,0|2,0,0]=4 404 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,0,0,1,0|2,0,0]=4 405 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,1,0|2,0,0]=4 406 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,1,0|2,0,0]=4 407 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,1,0|2,0,0]=4 408 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,0,0,1,0|2,0,0]=4 409 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,0,0,1,0|2,0,0]=4 410 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,1,0,0,0,1|2,0,0]=4 411 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,1,0,0,0,1|2,0,0]=4 412 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,1,0,0,0,1|2,0,0]=4 413 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,1,0,0,0,1|2,0,0]=4 414 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,1,0,0,0,1|2,0,0]=4 415 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [0,1,0,0,0,1|2,0,0]=4 416 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,1,0,0,0,1|1,0,1]=4 417 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,1,0,0,0,1|1,0,0]=3 418 B9R0.10 CN(CC(=O)N)C(C)(C)C 269982a_100011215553_100000187820 [0,1,0,0,0,1|2,0,0]=4 419 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,1,0,0,0,1|1,0,0]=3 420 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,1,0,0,0,1|1,0,0]=3 421 B9R0.10 CN(CC(=O)[O-])C(C)(C)C 269982a_100011215553_100020667443 [0,1,0,0,0,1|1,0,1]=4 422 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,1,0,0,0,1|2,0,0]=4 423 B9R0.21 C#CC(=O)CC[N+](C)(C)C 1458a_100000211873_100000085578 [0,1,0,0,0,1|1,0,0]=3 424 B9R0.21 C#CC(=O)CC[Si](C)(C)C 1458a_100000211873_200000733723 [0,1,0,0,0,1|2,0,0]=4 425 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,1,0,0,0,1|2,0,0]=4 426 B9R0.21 C=CC(=O)CC[N+](C)(C)C 1458a_100000185746_100000085578 [0,1,0,0,0,1|1,0,0]=3 427 B9R0.21 C=CC(=O)CC[Si](C)(C)C 1458a_100000185746_200000733723 [0,1,0,0,0,1|2,0,0]=4 428 B9R0.21 C=CC(=O)NCC(C)(C)C 1626a_100000743828_100000185746 [0,1,0,0,0,1|2,0,0]=4 429 B9R0.21 C=CC(=O)NCC(C)(C)C 240690a_100000743828_200121576911 [0,1,0,0,0,1|2,0,0]=4 430 B9R0.21 C=CC(=O)NC[Si](C)(C)C 1626a_102516607284_100000185746 [0,1,0,0,0,1|2,0,0]=4 431 B9R0.21 C=CC(=O)NC[Si](C)(C)C 240690a_102516607284_200121576911 [0,1,0,0,0,1|2,0,0]=4 432 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,1,0,0,0,1|2,0,0]=4 433 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,1,0,0,0,1|1,0,0]=3 434 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,1,0,0,0,1|1,0,0]=3 435 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,1,0,0,0,1|1,0,0]=3 436 B9R0.21 CC(C)(C)NNC(=O)CO 22a_100000725372_100000210174 [0,1,0,0,0,1|2,0,0]=4 437 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [0,1,0,0,0,1|2,0,0]=4 438 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,1,0,0,0,1|2,0,0]=4 439 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,1,0,0,0,1|2,0,0]=4 440 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,1,0,0,0,1|2,0,0]=4 441 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,1,0,0,0,1|2,0,0]=4 442 B9R0.21 CC(CO)SC[N+](C)(C)C 62a_100012180447_200000036245 [0,1,0,0,0,1|1,0,1]=4 443 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,1,0,0,0,1|2,0,0]=4 444 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,1,0,0,0,1|2,0,0]=4 445 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,1,0,0,0,1|1,0,0]=3 446 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,1,0,0,0,1|2,0,0]=4 447 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,1,0,0,0,1|2,0,0]=4 448 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,1,0,0,0,1|2,0,0]=4 449 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,1,0,0,0,1|2,0,0]=4 450 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,1,0,0,0,1|2,0,0]=4 451 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,1,0,0,0,1|2,0,0]=4 452 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,1,0,0,0,1|2,0,0]=4 453 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,1,0,0,0,1|2,0,0]=4 454 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,1,0,0,0,1|2,0,0]=4 455 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,1,0,0,0,1|2,0,0]=4 456 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,1,0,0,0,1|2,0,0]=4 457 B9R0.21 CCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210414 [0,1,0,0,0,1|2,0,0]=4 458 B9R0.21 CCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210414 [0,1,0,0,0,1|2,0,0]=4 459 B9R0.21 CCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210414 [0,1,0,0,0,1|2,0,0]=4 460 B9R0.21 CCC(=O)NC[Si](C)(C)C 527a_102516607284_100000210414 [0,1,0,0,0,1|2,0,0]=4 461 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,1,0,0,0,1|2,0,0]=4 462 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,1,0,0,0,1|2,0,0]=4 463 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,1,0,0,0,1|2,0,0]=4 464 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,1,0,0,0,1|2,0,0]=4 465 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,1,0,0,0,1|2,0,0]=4 466 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,1,0,0,0,1|2,0,0]=4 467 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,1,0,0,0,1|2,0,0]=4 468 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,1,0,0,0,1|2,0,0]=4 469 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,1,0,0,0,1|2,0,0]=4 470 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,1,0,0,0,1|2,0,0]=4 471 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,1,0,0,0,1|2,0,0]=4 472 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,1,0,0,0,1|2,0,0]=4 473 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,1,0,0,0,1|2,0,0]=4 474 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,1,0,0,0,1|2,0,0]=4 475 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,1,0,0,0,1|2,0,0]=4 476 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,1,0,0,0,1|2,0,0]=4 477 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,1,0,0,0,1|2,0,0]=4 478 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,1,0,0,0,1|2,0,0]=4 479 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,1,0,0,0,1|2,0,0]=4 480 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,1,0,0,0,1|2,0,0]=4 481 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,1,0,0,0,1|2,0,0]=4 482 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,1,0,0,0,1|2,0,0]=4 483 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,1,0,0,0,1|2,0,0]=4 484 B9R0.21 CNC(=O)NC[Si](C)(C)C 2708a_100102657272_102516607284 [0,1,0,0,0,1|2,0,0]=4 485 B9R0.21 CNC(=O)NC[Si](C)(C)C 2708a_102516607284_106832991635 [0,1,0,0,0,1|2,0,0]=4 486 B9R0.21 CNC(=O)NC[Si](C)(C)C 273464a_100102657272_102516607284 [0,1,0,0,0,1|2,0,0]=4 487 B9R0.21 CNC(=O)NC[Si](C)(C)C 273464a_102516607284_100102657272 [0,1,0,0,0,1|2,0,0]=4 488 B9R0.21 CNC(=O)NC[Si](C)(C)C 512a_102516607284_100102657272 [0,1,0,0,0,1|2,0,0]=4 489 B9R0.21 CNC(=O)NC[Si](C)(C)C 512a_106832991638_102516607284 [0,1,0,0,0,1|2,0,0]=4 490 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,1,0,0,0,1|1,0,0]=3 491 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,1,0,0,0,1|1,0,0]=3 492 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,1,0,0,0,1|1,0,0]=3 493 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,1,0,0,0,1|1,0,0]=3 494 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,1,0,0,0,1|1,0,0]=3 495 B9R0.21 COC(C)SC[N+](C)(C)C 62a_100009879195_200000036245 [0,1,0,0,0,1|1,0,1]=4 496 B9R0.21 COC(C)SC[N+](C)(C)C 62a_200000036245_100009879195 [0,1,0,0,0,1|1,0,1]=4 497 B9R0.21 C[C@H](CO)SC[N+](C)(C)C 62a_100016084084_200000036245 [0,1,0,0,0,1|1,0,1]=4 498 B9R0.21 C[C@H](CO)SC[N+](C)(C)C 62a_200000036245_100016084084 [0,1,0,0,0,1|1,0,1]=4 499 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,1,0,0,0,1|0,0,0]=2 500 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [0,1,0,0,0,1|2,0,0]=4 501 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,1,0,0,0,1|1,0,0]=3 502 B9R0.21 C[Si](C)(C)CNC(=O)CO 240690a_102516607284_100000210174 [0,1,0,0,0,1|1,0,0]=3 503 B9R0.21 C[Si](C)(C)CNC(=O)CO 527a_102516607284_100000210174 [0,1,0,0,0,1|1,0,0]=3 504 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,1,0,0,0,1|2,0,0]=4 505 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,1,0,0,0,1|2,0,0]=4 506 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,1,0,0,0,1|2,0,0]=4 507 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,1,0,0,0,1|2,0,0]=4 508 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,1,0,0,0,1|2,0,0]=4 509 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,1,0,0,0,1|2,0,0]=4 510 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,1,0,0,0,1|2,0,0]=4 511 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,1,0,0,0,1|2,0,0]=4 512 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,1,0,0,0,1|2,0,0]=4 513 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 11a_200020589227_100015343762 [0,1,0,0,0,1|2,0,0]=4 514 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 1626a_200020589227_100015343762 [0,1,0,0,0,1|2,0,0]=4 515 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 240690a_200020589227_100015343762 [0,1,0,0,0,1|2,0,0]=4 516 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 527a_200020589227_100103153847 [0,1,0,0,0,1|2,0,0]=4 517 B9R0.57 CC(C)(C)NC(F)C(=O)N 2230a_100000715429_100009813875 [0,1,0,0,0,1|2,0,0]=4 518 B9R0.57 CC(C)(C)OC(F)C(=O)N 34a_100015890283_100009813875 [0,1,0,0,0,1|2,0,0]=4 519 B9R0.57 CC(C)(C)OC(F)C(=O)N 7a_100015890283_100009813875 [0,1,0,0,0,1|2,0,0]=4 520 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,1,0,0,0,1|1,0,1]=4 521 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100000211941_100009813875 [0,1,0,0,0,1|2,0,0]=4 522 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100009813875_100000211941 [0,1,0,0,0,1|2,0,0]=4 523 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,1,0,0,0,1|1,0,1]=4 524 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,1,0,0,0,1|1,0,1]=4 525 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,1,0,0,0,1|2,0,0]=4 526 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,1,0,0,0,1|2,0,0]=4 527 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,1,0,0,0,1|2,0,0]=4 528 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,1,0,0,0,1|2,0,0]=4 529 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,1,0,0,0,1|2,0,0]=4 530 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,1,0,0,0,1|2,0,0]=4 531 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,1,0,0,0,1|2,0,0]=4 532 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,1|1,0,0]=3 533 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,1,0,0,0,1|1,0,1]=4 534 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,1,0,0,0,1|2,0,0]=4 535 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,1,0,0,0,1|2,0,0]=4 536 B9R0.64 CC(C)(CCl)OCC(=O)N 7a_100000764493_100000187820 [0,1,0,0,0,1|2,0,0]=4 537 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [0,1,0,0,0,1|2,0,0]=4 538 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,1,0,0,0,1|2,0,0]=4 539 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,1,0,0,0,1|1,0,0]=3 540 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,1,0,0,0,1|2,0,0]=4 541 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,1,0,0,0,1|2,0,0]=4 542 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,1,0,0,0,1|2,0,0]=4 543 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,1,0,0,0,1|1,0,1]=4 544 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,1,0,0,0,1|1,0,1]=4 545 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,1,0,0,0,1|2,0,0]=4 546 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,1,0,0,0,1|2,0,0]=4 547 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,1,0,0,0,1|2,0,0]=4 548 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,1,0,0,0,1|2,0,0]=4 549 B9R0.22 C=C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000038793 [0,2,0,0,0,0|1,0,1]=4 550 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [0,2,0,0,0,0|2,0,0]=4 551 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [0,2,0,0,0,0|2,0,0]=4 552 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|1,0,0]=3 561 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|1,0,0]=3 562 B9R0.25 CC(C)(C)[C@H](O)C(=O)CF 1458a_100009816492_100015361967 [0,2,0,0,0,0|2,0,0]=4 563 B9R0.25 CCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210202 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.25 CN(C(=O)CO)C(C)(C)C 240690a_100011215553_100000210174 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.25 CNC(=O)[C@@H](O)C(C)(C)C 240690a_100102657272_100009816492 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.44 C#CCC(=O)CC(C)(C)C 1458a_100000211214_100000184674 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.44 C#CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000184674 [0,2,0,0,0,0|1,0,0]=3 568 B9R0.44 C#CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000184674 [0,2,0,0,0,0|2,0,0]=4 569 B9R0.44 C#CCC(=O)C[Si](C)(C)C 1458a_100011220946_100000233785 [0,2,0,0,0,0|2,0,0]=4 570 B9R0.44 C=CCC(=O)CC(C)(C)C 1458a_100000211214_100000210623 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.44 C=CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210623 [0,2,0,0,0,0|1,0,0]=3 572 B9R0.44 C=CCC(=O)C[Si](C)(C)C 1458a_100000210193_100000233785 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.44 C=CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210623 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.44 CC#CC(=O)C[Si](C)(C)C 1458a_100000763181_100000233785 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.44 CC(C)(C)CC(=O)CC#N 1458a_100000211214_100011214920 [0,2,0,0,0,0|2,0,0]=4 576 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,2,0,0,0,0|2,0,0]=4 577 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.44 CC(C)(C)NC(=O)CCO 240690a_100000715429_100011216618 [0,2,0,0,0,0|2,0,0]=4 579 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.44 CC=CC(=O)C[Si](C)(C)C 1458a_100000210699_100000233785 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,2,0,0,0,0|1,0,0]=3 584 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,2,0,0,0,0|2,0,0]=4 586 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 588 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.44 CN(CCO)C[N+](C)(C)C 269982a_100000210263_200000036245 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.44 CNCC(O)C[N+](C)(C)C 2230a_106832991635_100000032816 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.44 CNCC(O)C[N+](C)(C)C 34a_100102657272_100000032816 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.44 CNCC(O)C[N+](C)(C)C 7a_106832991635_100000032816 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.44 CNNC(=O)C[N+](C)(C)C 22a_100016993582_100000033712 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.44 COCC(=O)C[Si](C)(C)C 1458a_100000210968_100000233785 [0,2,0,0,0,0|1,0,0]=3 600 B9R0.44 COCC(=O)NC(C)(C)C 11a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.44 COCC(=O)NC(C)(C)C 1626a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.44 COCC(=O)NC(C)(C)C 240690a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 603 B9R0.44 COCC(=O)NC(C)(C)C 34a_100138415774_100000182746 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.44 COCC(=O)NC(C)(C)C 527a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,2,0,0,0,0|2,0,0]=4 607 B9R0.44 COCC(=O)O[Si](C)(C)C 34a_100138415774_200009813336 [0,2,0,0,0,0|2,0,0]=4 608 B9R0.44 COCC(O)C[N+](C)(C)C 34a_100138415774_100000032816 [0,2,0,0,0,0|0,0,2]=4 609 B9R0.44 CSCC(=O)C[Si](C)(C)C 1458a_100000184570_100000233785 [0,2,0,0,0,0|1,1,0]=4 610 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_100000032816_200000210301 [0,2,0,0,0,0|0,1,1]=4 611 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_200000210301_100000032816 [0,2,0,0,0,0|0,1,1]=4 612 B9R0.44 C[N+](C)(C)CC(=O)CC#N 1458a_100000033712_100011214920 [0,2,0,0,0,0|1,0,0]=3 613 B9R0.44 C[N+](C)(C)CC(=O)CCF 1458a_100000033712_100011217306 [0,2,0,0,0,0|1,0,0]=3 614 B9R0.44 C[N+](C)(C)CC(=O)CCO 1458a_100000033712_100000211926 [0,2,0,0,0,0|0,0,0]=2 615 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_100000032816_200025704644 [0,2,0,0,0,0|0,1,1]=4 616 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_200025704644_100000032816 [0,2,0,0,0,0|0,1,1]=4 617 B9R0.44 C[Si](C)(C)CC(=O)C=CBr 1458a_100016273825_100000233785 [0,2,0,0,0,0|2,0,0]=4 618 B9R0.44 C[Si](C)(C)CC(=O)C=CCl 1458a_200016279998_100000233785 [0,2,0,0,0,0|2,0,0]=4 619 B9R0.44 C[Si](C)(C)CC(=O)C=CI 1458a_100016256311_100000233785 [0,2,0,0,0,0|2,0,0]=4 620 B9R0.44 C[Si](C)(C)CC(=O)CC#N 1458a_100011218504_100011214920 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.44 C[Si](C)(C)CC(=O)CC#N 1458a_100051588842_100000233785 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.44 C[Si](C)(C)CC(=O)CCF 1458a_100011218504_100011217306 [0,2,0,0,0,0|2,0,0]=4 623 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011216618_100000233785 [0,2,0,0,0,0|1,0,0]=3 624 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011218504_100000211926 [0,2,0,0,0,0|1,0,0]=3 625 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,2,0,0,0,0|1,0,0]=3 626 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,2,0,0,0,0|2,0,0]=4 627 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,2,0,0,0,0|2,0,0]=4 628 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,2,0,0,0,0|2,0,0]=4 629 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,2,0,0,0,0|1,0,0]=3 630 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,2,0,0,0,0|2,0,0]=4 631 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,2,0,0,0,0|2,0,0]=4 633 B9R0.80 CC(=O)C(F)(F)[Si](C)(C)C 1458a_100000070787_100010009690 [0,2,0,0,0,0|2,0,0]=4 634 B9R0.58 C=CC[Si](C)(C)CC(=O)C 1458a_100000070787_100000046978 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.58 CC(=O)CC(C)(C)OCF 7a_100000210262_100015361967 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,2,0,0,0,0|2,0,0]=4 638 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|1,0,0]=3 639 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|2,0,0]=4 640 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,2,0,0,0,0|2,0,0]=4 641 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|1,0,1]=4 642 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|1,0,1]=4 643 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,1,0|2,0,0]=4 649 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,1,0|2,0,0]=4 650 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,0,0,1,0,1|2,0,0]=4 651 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,0,0,1,0,1|2,0,0]=4 652 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,0,0,1,0,1|2,0,0]=4 653 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,0,0,1,0,1|2,0,0]=4 654 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,0,0,1,0,1|2,0,0]=4 655 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,0,0,1,0,1|2,0,0]=4 656 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,0,0,1,0,1|2,0,0]=4 657 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,0,0,1,0,1|2,0,0]=4 658 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,0,0,1,0,1|2,0,0]=4 659 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,0,0,1,0,1|2,0,0]=4 660 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,0,0,1,0,1|2,0,0]=4 661 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,0,0,1,0,1|2,0,0]=4 662 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,1,0,0|2,0,0]=4 666 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,1,0,1,0,0|2,0,0]=4 679 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,1,0|2,0,0]=4 680 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,1,0|2,0,0]=4 681 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,1,0|1,0,1]=4 682 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,1,0|1,0,1]=4 683 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,1,0|1,0,1]=4 684 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,1,0|1,0,1]=4 685 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,1,0|2,0,0]=4 686 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,1|2,0,0]=4 687 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,1|2,0,0]=4 688 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,1|2,0,0]=4 689 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,1|2,0,0]=4 690 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,1|2,0,0]=4 691 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,1|1,0,1]=4 692 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,1|2,0,0]=4 693 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,1|2,0,0]=4 694 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,1|2,0,0]=4 695 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,1|2,0,0]=4 696 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,1|2,0,0]=4 697 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,1|2,0,0]=4 698 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,1|2,0,0]=4 699 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,1|2,0,0]=4 700 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,0,1|1,0,1]=4 701 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,1|2,0,0]=4 702 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,1|2,0,0]=4 703 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,1|2,0,0]=4 704 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,1|2,0,0]=4 705 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|1,0,0]=3 706 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,1|1,0,1]=4 707 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,1|2,0,0]=4 708 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,1|2,0,0]=4 709 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,1|1,0,1]=4 710 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,1|2,0,0]=4 711 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,1|2,0,0]=4 712 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,1|2,0,0]=4 713 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,1|1,0,1]=4 714 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,1|1,0,1]=4 715 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,1|1,0,1]=4 716 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,1|1,0,1]=4 717 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,1|1,0,1]=4 718 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,1|1,0,1]=4 719 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,1|2,0,0]=4 720 B9R0.56 C=C(C)CSC[N+](C)(C)C 62a_100000748629_200000036245 [0,0,0,0,0,2|2,0,0]=4 721 B9R0.56 C=C(C)CSC[N+](C)(C)C 62a_200000036245_100000211660 [0,0,0,0,0,2|2,0,0]=4 722 B9R0.56 C=C(F)CSC[N+](C)(C)C 62a_100000042424_200000036245 [0,0,0,0,0,2|2,0,0]=4 723 B9R0.56 C=C(F)CSC[N+](C)(C)C 62a_200000036245_100000042424 [0,0,0,0,0,2|2,0,0]=4 724 B9R0.56 CC(=O)CC#C[Si](C)(C)C 1458a_100000070787_100000764098 [0,0,0,0,0,2|2,0,0]=4 725 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,0,0,0,0,2|1,0,0]=3 726 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,0,0,0,0,2|1,0,0]=3 727 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,0,0,0,0,2|2,0,0]=4 728 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,0,0,0,0,2|2,0,0]=4 729 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,0,0,0,0,2|2,0,0]=4 730 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,0,0,0,0,2|2,0,0]=4 731 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,0,0,0,0,2|2,0,0]=4 732 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,0,0,0,0,2|2,0,0]=4 733 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,0,0,0,0,2|2,0,0]=4 734 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,0,0,0,0,2|2,0,0]=4 735 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,0,0,0,0,2|2,0,0]=4 736 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,0,0,0,0,2|2,0,0]=4 737 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,0,0,0,0,2|2,0,0]=4 738 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,0,0,0,0,2|1,0,0]=3 739 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,0,0,0,0,2|1,0,0]=3 740 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,0,0,0,0,2|1,0,0]=3 741 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,0,0,0,0,2|2,0,0]=4 742 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,0,0,0,0,2|2,0,0]=4 743 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,0,0,0,0,2|2,0,0]=4 744 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,0,0,0,0,2|2,0,0]=4 745 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,0,0,0,0,2|1,0,0]=3 746 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,0,0,0,0,2|2,0,0]=4 747 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,0,0,0,0,2|2,0,0]=4 748 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,0,0,0,0,2|1,0,1]=4 749 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,0,0,0,0,2|1,0,1]=4 750 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,0,0,0,0,2|2,0,0]=4 751 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,0,0,0,0,2|1,0,0]=3 752 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,0,0,0,0,2|2,0,0]=4 753 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,0,0,0,0,2|2,0,0]=4 754 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,0,0,0,0,2|2,0,0]=4 755 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,0,0,0,0,2|2,0,0]=4 756 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,0,0,0,0,2|2,0,0]=4 757 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,0,0,0,0,2|2,0,0]=4 758 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,0,0,0,0,2|2,0,0]=4 759 B9R0.56 CC(O)CSC[N+](C)(C)C 62a_100011218427_200000036245 [0,0,0,0,0,2|1,0,1]=4 760 B9R0.56 CC(O)CSC[N+](C)(C)C 62a_200000036245_100011218427 [0,0,0,0,0,2|1,0,1]=4 761 B9R0.56 C[C@@H](O)CSC[N+](C)(C)C 62a_100009817552_200000036245 [0,0,0,0,0,2|1,0,1]=4 762 B9R0.56 C[C@@H](O)CSC[N+](C)(C)C 62a_200000036245_100009817552 [0,0,0,0,0,2|1,0,1]=4 763 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,0,0,0,0,2|1,0,0]=3 764 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,0,0,0,0,2|0,0,0]=2 765 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_100000747473_200000036245 [0,0,0,0,0,2|1,0,0]=3 766 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_200000036245_100000747473 [0,0,0,0,0,2|1,0,0]=3 767 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_100020667443_200000036245 [0,0,0,0,0,2|0,0,1]=3 768 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_200000036245_100020667443 [0,0,0,0,0,2|0,0,1]=3 769 B9R0.56 C[N+](C)(C)CSC[N+](=O)[O-] 62a_200000036245_100000761209 [0,0,0,0,0,2|1,0,1]=4 770 B9R0.56 C[Si](C)(C)CNCC(=O)N 2230a_100000711301_100000037933 [0,0,0,0,0,2|2,0,0]=4 771 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,0,0,0,0,2|1,0,0]=3 772 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000037933_100000747473 [0,0,0,0,0,2|2,0,0]=4 773 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000747473_100000037933 [0,0,0,0,0,2|2,0,0]=4 774 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100000037933_100020667443 [0,0,0,0,0,2|1,0,1]=4 775 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100020667443_100000037933 [0,0,0,0,0,2|1,0,1]=4