0 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,0,0,0,0,0|1,1,0]=3 7 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [1,0,0,0,0,0|2,1,0]=4 9 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [1,0,0,0,0,0|2,1,0]=4 10 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,0,0,0,0,0|1,1,0]=3 16 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [1,0,0,0,0,0|2,1,0]=4 18 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.25 CC(C)(C)[C@H](O)C(=O)CF 1458a_100009816492_100015361967 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.25 CCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210202 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.25 CN(C(=O)CO)C(C)(C)C 240690a_100011215553_100000210174 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.25 CNC(=O)[C@@H](O)C(C)(C)C 240690a_100102657272_100009816492 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,1,0,0,0,0|2,0,0]=3 42 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,1,0,0,0,0|2,0,0]=3 43 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,1,0,0,0,0|0,1,0]=2 44 B9R0.72 CNC(C(=O)O)C(F)(F)F 269956a_100000036200_200000210301 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,1,0,0,0,0|1,0,0]=2 46 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,1,0,0,0,0|0,1,0]=2 47 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.72 [13CH3]NC(C(=O)O)C(F)(F)F 269956a_100000036200_200025704644 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,0,0,0,0,1|2,1,0]=4 51 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,0,0,0,0,1|2,1,0]=4 52 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,0,0,0,0,1|2,1,0]=4 53 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,0,0,0,0,1|2,1,0]=4 54 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,0,0,0,0,1|3,0,0]=4 55 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,0,0,0,0,1|3,0,0]=4 56 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,0,0,0,0,1|3,0,0]=4 57 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,0,0,0,0,1|3,0,0]=4 58 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,0,0,0,0,1|3,0,0]=4 59 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,0,0,0,0,1|3,0,0]=4 60 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,0,0,0,0,1|3,0,0]=4 61 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,0,0,0,0,1|3,0,0]=4 62 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,0,0,0,0,1|3,0,0]=4 63 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,0,0,0,0,1|3,0,0]=4 64 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,0,0,0,0,1|3,0,0]=4 65 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,0,0,0,0,1|3,0,0]=4 66 B9R0.57 CC(C)(C)NC(F)C(=O)N 2230a_100000715429_100009813875 [0,0,0,0,0,1|3,0,0]=4 67 B9R0.57 CC(C)(C)OC(F)C(=O)N 34a_100015890283_100009813875 [0,0,0,0,0,1|3,0,0]=4 68 B9R0.57 CC(C)(C)OC(F)C(=O)N 7a_100015890283_100009813875 [0,0,0,0,0,1|3,0,0]=4 69 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,0,0,0,0,1|2,0,1]=4 70 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100000211941_100009813875 [0,0,0,0,0,1|3,0,0]=4 71 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100009813875_100000211941 [0,0,0,0,0,1|3,0,0]=4 72 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,0,0,0,0,1|2,0,1]=4 73 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,0,0,0,0,1|2,0,1]=4 74 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,0,0,0,0,1|3,0,0]=4 75 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,0,0,0,0,1|3,0,0]=4 76 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,0,0,0,0,1|3,0,0]=4 77 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,0,0,0,0,1|3,0,0]=4 78 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,0,0,0,0,1|3,0,0]=4 79 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,0,0,0,0,1|3,0,0]=4 80 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,0,0,0,0,1|3,0,0]=4 81 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,0,0,0,0,1|2,0,0]=3 82 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|1,1,0]=4 85 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|1,1,0]=4 87 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [2,0,0,0,0,0|2,0,0]=4 91 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|1,1,0]=4 102 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|2,0,0]=4 105 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [2,0,0,0,0,0|2,0,0]=4 110 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [1,1,0,0,0,0|2,0,0]=4 111 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [1,1,0,0,0,0|2,0,0]=4 113 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [1,1,0,0,0,0|1,1,0]=4 114 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [1,1,0,0,0,0|2,0,0]=4 115 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [1,1,0,0,0,0|1,1,0]=4 116 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [1,1,0,0,0,0|2,0,0]=4 117 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 119 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [1,1,0,0,0,0|2,0,0]=4 120 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [1,1,0,0,0,0|1,1,0]=4 121 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [1,1,0,0,0,0|1,1,0]=4 122 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [1,1,0,0,0,0|1,1,0]=4 123 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,1,0,0,0,0|1,1,0]=4 128 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,1,0,0,0,0|1,1,0]=4 129 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [1,1,0,0,0,0|2,0,0]=4 130 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [1,1,0,0,0,0|1,0,0]=3 131 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [1,1,0,0,0,0|1,1,0]=4 132 B8R0.26 CC(C)(C)[C@@H](CO)N[13CH3] 2230a_100000763378_200025704644 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.26 CN[C@H](CO)C(C)(C)C 2230a_100000763378_200000210301 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [1,1,0,0,0,0|2,0,0]=4 150 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [1,1,0,0,0,0|2,0,0]=4 151 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [1,1,0,0,0,0|1,0,0]=3 154 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [1,1,0,0,0,0|1,0,0]=3 155 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,1,0,0,0,0|0,0,0]=2 158 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [1,1,0,0,0,0|0,1,0]=3 159 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [1,1,0,0,0,0|2,0,0]=4 161 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [1,1,0,0,0,0|0,1,0]=3 164 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [1,1,0,0,0,0|1,1,0]=4 166 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [1,1,0,0,0,0|2,0,0]=4 168 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [1,1,0,0,0,0|1,1,0]=4 170 B10R0.52 C[C@@H](NC(=O)CO)C(C)(C)C 240690a_100025703359_100000210174 [0,1,0,0,0,1|2,0,0]=4 171 B10R0.52 C[C@@H](NC(=O)CO)C(C)(C)C 527a_100025703359_100000210174 [0,1,0,0,0,1|2,0,0]=4 172 B10R0.52 C[C@H](NC(=O)CO)C(C)(C)O 240690a_100025708725_100000210174 [0,1,0,0,0,1|1,1,0]=4 173 B10R0.52 C[C@H](NC(=O)CO)C(C)(C)O 527a_100025708725_100000210174 [0,1,0,0,0,1|1,1,0]=4 174 B10R0.138 CC(C)(C)C(CC(=O)O)N[13CH3] 269956a_100000760478_200025704644 [0,1,0,0,0,1|1,0,0]=3 175 B10R0.138 CNC(CC(=O)O)C(C)(C)C 269956a_100000760478_200000210301 [0,1,0,0,0,1|1,0,0]=3 176 B10R0.37 COC(=O)C(C)NC(C)(C)C 2230a_100000715429_100000211248 [0,1,0,0,0,1|2,0,0]=4 177 B10R0.37 COC(=O)C(C)OC(C)(C)C 34a_100011215400_100000210625 [0,1,0,0,0,1|2,0,0]=4 178 B10R0.37 COC(=O)C(C)OC(C)(C)C 34a_100015890283_100000211248 [0,1,0,0,0,1|2,0,0]=4 179 B10R0.37 COC(=O)C(C)OC(C)(C)C 7a_100015890283_100000211248 [0,1,0,0,0,1|2,0,0]=4 180 B10R0.37 COC(=O)C(C)SC(C)(C)C 62a_100000211248_100000211941 [0,1,0,0,0,1|2,0,0]=4 181 B10R0.37 COC(=O)C(C)SC(C)(C)C 62a_100000211941_100000211248 [0,1,0,0,0,1|2,0,0]=4 182 B10R0.67 C#CC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000038118 [0,1,0,0,0,1|2,0,0]=4 183 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,1,0,0,0,1|2,0,0]=4 184 B10R0.95 C=C[C@H](NC(C)(C)C)C(=O)O 269956a_100016992060_100000211941 [0,1,0,0,0,1|2,0,0]=4 185 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,1,0,0,0,1|1,0,0]=3 186 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,1,0,0,0,1|2,0,0]=4 187 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,1,0,0,0,1|1,0,0]=3 188 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,1,0,0,0,1|2,0,0]=4 189 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,1,0,0,0,1|1,0,0]=3 190 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,1,0,0,0,1|1,0,0]=3 191 B10R0.61 CNC(=O)[C@@H](NC)C(C)(C)C 2230a_100132313971_200000210301 [0,2,0,0,0,0|2,0,0]=4 192 B10R0.61 CNC(=O)[C@@H](NC)C(C)(C)C 34a_100132313971_200000210301 [0,2,0,0,0,0|2,0,0]=4 193 B10R0.61 CNC(=O)[C@@H](N[13CH3])C(C)(C)C 2230a_100132313971_200025704644 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.61 CNC(=O)[C@@H](N[13CH3])C(C)(C)C 34a_100132313971_200025704644 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.61 COC(=O)C(OC)C(C)(C)C 34a_100011625994_200000210301 [0,2,0,0,0,0|2,0,0]=4 196 B10R0.61 COC(=O)C(OC)C(C)(C)C 7a_100011625994_200000210301 [0,2,0,0,0,0|2,0,0]=4 197 B10R0.61 COC(=O)C(O[13CH3])C(C)(C)C 34a_100011625994_200025704644 [0,2,0,0,0,0|2,0,0]=4 198 B10R0.61 COC(=O)C(O[13CH3])C(C)(C)C 7a_100011625994_200025704644 [0,2,0,0,0,0|2,0,0]=4 199 B10R0.100 CC(C)(C)[C@H](O)C(=O)CCO 1458a_100009816492_100000211926 [0,2,0,0,0,0|2,0,0]=4 200 B10R0.69 CC(C)(C)[C@@H](NCF)C(=O)O 269956a_100000753415_100015361967 [0,2,0,0,0,0|1,0,0]=3 201 B10R0.69 CC(C)(C)[C@H](NCF)C(=O)N 34a_100000765447_100015361967 [0,2,0,0,0,0|2,0,0]=4 202 B10R0.69 CC(C)(O)[C@@H](NCF)C(=O)O 269956a_100015421311_100015361967 [0,2,0,0,0,0|0,1,0]=3 203 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_100000210202 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210202 [0,2,0,0,0,0|0,1,0]=3 205 B10R0.69 CCN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_100000210202 [0,2,0,0,0,0|2,0,0]=4 206 B10R0.69 CCN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_100000210202 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [1,0,0,1,0,0|1,1,0]=4 209 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|2,0,0]=4 214 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 34a_100009815050_200025704644 [0,1,0,1,0,0|2,0,0]=4 215 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 7a_100009815050_200025704644 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_200000210301 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_200000210301 [0,1,0,1,0,0|2,0,0]=4 218 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [1,0,0,0,0,1|2,0,0]=4 219 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [1,0,0,0,0,1|2,0,0]=4 220 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [1,0,0,0,0,1|2,0,0]=4 221 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [1,0,0,0,0,1|2,0,0]=4 222 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [1,0,0,0,0,1|2,0,0]=4 223 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [1,0,0,0,0,1|2,0,0]=4 224 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [1,0,0,0,0,1|2,0,0]=4 225 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [1,0,0,0,0,1|2,0,0]=4 226 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [1,0,0,0,0,1|2,0,0]=4 227 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [1,0,0,0,0,1|2,0,0]=4 228 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [1,0,0,0,0,1|2,0,0]=4 229 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [1,0,0,0,0,1|2,0,0]=4 230 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [1,0,0,0,0,1|1,1,0]=4 231 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [1,0,0,0,0,1|1,1,0]=4 232 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [1,0,0,0,0,1|1,1,0]=4 233 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [1,0,0,0,0,1|2,0,0]=4 234 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [1,0,0,0,0,1|2,0,0]=4 235 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [1,0,0,0,0,1|1,0,0]=3 236 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [1,0,0,0,0,1|2,0,0]=4 237 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [1,0,0,0,0,1|2,0,0]=4 238 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [1,0,0,0,0,1|2,0,0]=4 239 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [1,0,0,0,0,1|1,0,1]=4 240 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [1,0,0,0,0,1|2,0,0]=4 241 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [1,0,0,0,0,1|2,0,0]=4 242 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [1,0,0,0,0,1|1,0,1]=4 243 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [1,0,0,0,0,1|1,0,1]=4 244 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,0,0,0,0,1|2,0,0]=4 245 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [1,0,0,0,0,1|2,0,0]=4 246 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [1,0,0,0,0,1|2,0,0]=4 247 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [1,0,0,0,0,1|2,0,0]=4 248 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [1,0,0,0,0,1|2,0,0]=4 249 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,0,0,0,0,1|2,0,0]=4 250 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,0,0,0,0,1|2,0,0]=4 251 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,0,0,0,0,1|2,0,0]=4 252 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,0,0,0,0,1|2,0,0]=4 253 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,0,0,0,0,1|2,0,0]=4 254 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,0,0,0,0,1|2,0,0]=4 255 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [1,0,0,0,0,1|2,0,0]=4 256 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [1,0,0,0,0,1|2,0,0]=4 257 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [1,0,0,0,0,1|2,0,0]=4 258 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [1,0,0,0,0,1|2,0,0]=4 259 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [1,0,0,0,0,1|2,0,0]=4 260 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [1,0,0,0,0,1|1,0,1]=4 261 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,0,0,0,0,1|1,0,0]=3 262 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [1,0,0,0,0,1|2,0,0]=4 263 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [1,0,0,0,0,1|2,0,0]=4 264 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [1,0,0,0,0,1|2,0,0]=4 265 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [1,0,0,0,0,1|2,0,0]=4 266 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [1,0,0,0,0,1|1,0,1]=4 267 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [1,0,0,0,0,1|1,0,1]=4 268 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [1,0,0,0,0,1|2,0,0]=4 269 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [1,0,0,0,0,1|2,0,0]=4 270 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [1,0,0,0,0,1|2,0,0]=4 271 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [1,0,0,0,0,1|2,0,0]=4 272 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [1,0,0,0,0,1|2,0,0]=4 273 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [1,0,0,0,0,1|2,0,0]=4 274 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [1,0,0,0,0,1|1,0,1]=4 275 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [1,0,0,0,0,1|1,0,1]=4 276 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,0,0,0,0,2|2,0,0]=4 277 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210625 [0,0,0,0,0,2|2,0,0]=4 278 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,0,0,0,0,2|2,0,0]=4 279 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,0,0,0,0,2|2,0,0]=4 280 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,0,0,0,0,2|2,0,0]=4 281 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,0,0,0,0,2|1,1,0]=4