0 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|0,0,3]=4 26 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|3,0,0]=4 116 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,0,0,0,0|3,0,0]=4 121 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,0,0,0,0|3,0,0]=4 122 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 34a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.2 CC(O[13CH3])C(C)[N+](=O)[O-] 7a_200000034949_200025704644 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,0,0,0,0|3,0,0]=4 132 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,1,0,0,0,0|3,0,0]=4 133 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,0|1,0,2]=4 134 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,0|1,0,2]=4 135 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,0,0|3,0,0]=4 138 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.2 COC(C)C(C)[N+](=O)[O-] 34a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.2 COC(C)C(C)[N+](=O)[O-] 7a_200000034949_200000210301 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,0,0|0,0,0]=1 156 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,0,0,0,0|3,0,0]=4 160 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|3,0,0]=4 168 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,1|3,0,0]=4 169 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,1|3,0,0]=4 170 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,1|3,0,0]=4 171 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,1|3,0,0]=4 172 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,1|3,0,0]=4 173 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,0,0,0,0,1|3,0,0]=4 174 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,0,0,0,0,1|3,0,0]=4 175 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,0,0,0,1|3,0,0]=4 176 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,0,0,0,1|3,0,0]=4 177 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,0,0,0,1|3,0,0]=4 178 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,0,0,0,1|3,0,0]=4 179 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,0,1|3,0,0]=4 180 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,0,1|3,0,0]=4 181 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,0,0,0,0,1|3,0,0]=4 182 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,1|3,0,0]=4 183 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,1|3,0,0]=4 184 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,1|3,0,0]=4 185 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,1|3,0,0]=4 186 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,1|2,0,1]=4 187 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,1|2,0,0]=3 188 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,1|3,0,0]=4 189 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,1|3,0,0]=4 190 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,1|3,0,0]=4 191 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,0,0,0,0,1|3,0,0]=4 192 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,0,0,0,0,1|2,0,1]=4 193 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,1|2,0,1]=4 194 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,1|3,0,0]=4 195 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,1|3,0,0]=4 196 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,1|3,0,0]=4 197 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,1|3,0,0]=4 198 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,0,0,0,0,1|3,0,0]=4 199 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,0,0,0,0,1|3,0,0]=4 200 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,0,0,0,0,1|2,0,1]=4 201 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,0,0,0,0,1|2,0,1]=4 202 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,0,0,0,1|2,0,1]=4 203 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,0,0,0,0,1|1,0,2]=4 204 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,0,0,0,1|2,0,1]=4 205 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,0,0,0,0,1|1,0,2]=4 206 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 227 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 241 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 248 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 256 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 257 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 258 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 260 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 261 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 262 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|2,0,0]=4 265 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [2,0,0,0,0,0|2,0,0]=4 266 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|1,0,1]=4 267 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|2,0,0]=4 269 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [2,0,0,0,0,0|2,0,0]=4 273 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|2,0,0]=4 283 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|2,0,0]=4 284 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,0,0]=3 285 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 286 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|0,0,0]=2 288 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|2,0,0]=4 290 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,0]=3 297 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|2,0,0]=4 299 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|2,0,0]=4 302 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 306 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,0,2]=4 310 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,0,2]=4 312 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 314 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,1,0,0,0,0|1,0,0]=3 321 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 325 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 326 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,0]=3 328 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|2,0,0]=4 329 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|2,0,0]=4 330 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|2,0,0]=4 332 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|2,0,0]=4 334 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|2,0,0]=4 335 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,0]=3 337 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|2,0,0]=4 342 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|2,0,0]=4 349 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|2,0,0]=4 350 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|2,0,0]=4 353 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|2,0,0]=4 354 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|2,0,0]=4 361 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|2,0,0]=4 362 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 363 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 364 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|2,0,0]=4 368 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|2,0,0]=4 369 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|1,0,0]=3 372 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 375 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 385 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|2,0,0]=4 392 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 398 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|2,0,0]=4 402 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|2,0,0]=4 404 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|2,0,0]=4 411 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,2]=4 413 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,2]=4 414 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 421 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 422 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,0]=2 434 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,0]=2 435 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 436 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|0,0,0]=2 440 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,1,0,0,0,0|0,0,1]=3 445 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,1,0,0,0,0|0,0,1]=3 446 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,1,0,0,0,0|0,0,1]=3 447 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,1,0,0,0,0|0,0,1]=3 448 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|0,0,0]=2 449 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|1,0,0]=3 451 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,1,0,0,0,1|2,0,0]=4 452 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,1,0,0,0,1|2,0,0]=4 453 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,1,0,0,0,1|2,0,0]=4 454 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,1,0,0,0,1|2,0,0]=4 455 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,1|2,0,0]=4 456 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [0,1,0,0,0,1|2,0,0]=4 457 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [0,1,0,0,0,1|2,0,0]=4 458 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,1|2,0,0]=4 459 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,1|2,0,0]=4 460 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,1|2,0,0]=4 461 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,1|2,0,0]=4 462 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,1|2,0,0]=4 463 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,1|2,0,0]=4 464 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,1|2,0,0]=4 465 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,1|2,0,0]=4 466 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,1|2,0,0]=4 467 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,1,0,0,0,1|2,0,0]=4 468 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,1,0,0,0,1|2,0,0]=4 469 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,0,0,0,1|1,0,0]=3 470 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,0,0,0,1|2,0,0]=4 471 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,0,0,0,1|2,0,0]=4 472 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,1|2,0,0]=4 473 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,1|2,0,0]=4 474 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,1,0,0,0,1|2,0,0]=4 475 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,1,0,0,0,1|2,0,0]=4 476 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,1,0,0,0,1|2,0,0]=4 477 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,1,0,0,0,1|2,0,0]=4 478 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,0,0,0,1|1,0,0]=3 479 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,0,0,0,1|2,0,0]=4 480 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,0,0,0,1|2,0,0]=4 481 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,0,1|1,0,1]=4 482 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,0,1|1,0,1]=4 483 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,1|2,0,0]=4 484 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,1|2,0,0]=4 485 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,1|2,0,0]=4 486 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,1|2,0,0]=4 487 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,1|2,0,0]=4 488 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,1|2,0,0]=4 489 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,1|2,0,0]=4 490 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,1|2,0,0]=4 491 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,0,0,0,1|2,0,0]=4 492 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,0,0,0,1|2,0,0]=4 493 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,1,0,0,0,1|2,0,0]=4 494 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,1,0,0,0,1|2,0,0]=4 495 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,1,0,0,0,1|1,0,1]=4 496 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,1,0,0,0,1|2,0,0]=4 497 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,1,0,0,0,1|2,0,0]=4 498 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,1,0,0,0,1|2,0,0]=4 499 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,1,0,0,0,1|2,0,0]=4 500 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,1,0,0,0,1|1,0,1]=4 501 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,1,0,0,0,1|2,0,0]=4 502 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,1,0,0,0,1|2,0,0]=4 503 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,1,0,0,0,1|2,0,0]=4 504 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|2,0,0]=4 505 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,1|1,0,1]=4 506 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,1|1,0,1]=4 507 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,1|1,0,0]=3 508 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,1|2,0,0]=4 509 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,1|2,0,0]=4 510 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [0,1,0,0,0,1|2,0,0]=4 511 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [0,1,0,0,0,1|2,0,0]=4 512 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009813875_100009879195 [0,1,0,0,0,1|2,0,0]=4 513 B9R0.42 COC(C)SC(F)C(=O)N 62a_100009879195_100009813875 [0,1,0,0,0,1|2,0,0]=4 514 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100009879195_100020610796 [0,1,0,0,0,1|1,0,1]=4 515 B9R0.42 COC(C)SC(F)C(=O)[O-] 62a_100020610796_100009879195 [0,1,0,0,0,1|1,0,1]=4 516 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,1,0,0,0,1|2,0,0]=4 517 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,1|1,0,0]=3 518 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,1,0,0,0,1|2,0,0]=4 519 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,1,0,0,0,1|2,0,0]=4 520 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,1,0,0,0,1|1,0,1]=4 521 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,1,0,0,0,1|1,0,1]=4 522 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,1|2,0,0]=4 523 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,0,0,0,1|2,0,0]=4 524 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,0,0,0,1|2,0,0]=4 525 B9R0.79 CC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000702099 [0,1,0,0,0,1|2,0,0]=4 526 B9R0.79 CC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000702099 [0,1,0,0,0,1|2,0,0]=4 527 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,1|2,0,0]=4 528 B9R0.79 C[C@@H](O)C(=O)C(F)C(=O)N 1458a_100000717761_100009813875 [0,1,0,0,0,1|2,0,0]=4 529 B9R0.79 C[C@@H](O)C(=O)C(F)C(=O)[O-] 1458a_100000717761_100020610796 [0,1,0,0,0,1|1,0,1]=4 530 B9R0.79 C[C@H](O)C(=O)C(F)C(=O)N 1458a_217856618621_100009813875 [0,1,0,0,0,1|2,0,0]=4 531 B9R0.79 C[C@H](O)C(=O)C(F)C(=O)[O-] 1458a_217856618621_100020610796 [0,1,0,0,0,1|1,0,1]=4 532 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.6 C[C@@H](OCF)[C@H](N)C(=O)N 34a_100000003557_100015361967 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 541 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 542 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,2,0,0,0,0|2,0,0]=4 543 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)OC 34a_100102634413_200000210301 [0,2,0,0,0,0|1,0,0]=3 544 B9R0.27 CNC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100102634413_200025704644 [0,2,0,0,0,0|1,0,0]=3 545 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|1,0,1]=4 547 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|0,0,0]=2 548 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|0,0,0]=2 549 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,2,0,0,0,0|2,0,0]=4 550 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|1,0,0]=3 551 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,2,0,0,0,0|2,0,0]=4 554 B9R0.29 CNC(=O)C(NC)C(C)C 2230a_100000690981_200000210301 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.29 CNC(=O)C(NC)C(C)C 34a_100000690981_200000210301 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 2230a_100000690981_200025704644 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.29 CNC(=O)C(N[13CH3])C(C)C 34a_100000690981_200025704644 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 2230a_100102634413_200000210301 [0,2,0,0,0,0|1,0,0]=3 559 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 34a_100102634413_200000210301 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 2230a_100102634413_200025704644 [0,2,0,0,0,0|1,0,0]=3 561 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 34a_100102634413_200025704644 [0,2,0,0,0,0|1,0,0]=3 562 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [0,2,0,0,0,0|1,0,0]=3 563 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [0,2,0,0,0,0|1,0,0]=3 565 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|0,0,0]=2 566 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [0,2,0,0,0,0|2,0,0]=4 567 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [0,2,0,0,0,0|2,0,0]=4 569 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [0,2,0,0,0,0|2,0,0]=4 570 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [0,2,0,0,0,0|2,0,0]=4 572 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [0,2,0,0,0,0|2,0,0]=4 575 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|0,0,0]=2 576 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,2,0,0,0,0|0,0,0]=2 578 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,2,0,0,0,0|0,0,0]=2 579 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,2,0,0,0,0|1,0,0]=3 580 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [0,2,0,0,0,0|1,0,0]=3 581 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,2,0,0,0,0|2,0,0]=4 582 B9R0.54 CC(=O)[C@H](C(C)C)N(C)C 1458a_100000687188_200000210301 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.54 CC(C)C(C(=O)N)N(C)C 269982a_100102631434_100000230017 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 269956a_100015941355_200000210301 [0,2,0,0,0,0|1,0,0]=3 585 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)[13CH3] 269956a_100015941355_200025704644 [0,2,0,0,0,0|1,0,0]=3 586 B9R0.54 CC(C)[C@@H](C(=O)[13CH3])N(C)C 1458a_100000687188_200025704644 [0,2,0,0,0,0|2,0,0]=4 587 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,2,0,0,0,0|2,0,0]=4 590 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,2,0,0,0,0|0,0,0]=2 591 B9R0.72 CNC(C(=O)O)C(F)(F)F 269956a_100000036200_200000210301 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,2,0,0,0,0|1,0,0]=3 593 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,2,0,0,0,0|0,0,0]=2 594 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,2,0,0,0,0|2,0,0]=4 595 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.72 [13CH3]NC(C(=O)O)C(F)(F)F 269956a_100000036200_200025704644 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 2230a_100000729261_200025704644 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 34a_100000729261_200025704644 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.76 CNC(C)(C(=O)N)C(C)C 2230a_100000729261_200000210301 [0,2,0,0,0,0|2,0,0]=4 600 B9R0.76 CNC(C)(C(=O)N)C(C)C 34a_100000729261_200000210301 [0,2,0,0,0,0|2,0,0]=4 601 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 603 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|2,0,0]=4 606 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 608 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,1,0]=4 609 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|2,0,0]=4 625 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,1|2,0,0]=4 626 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,1|2,0,0]=4 627 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,0,0,1,0,1|2,0,0]=4 628 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,0,0,1,0,1|2,0,0]=4 629 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,0,0,1,0,1|2,0,0]=4 630 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,1|2,0,0]=4 631 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,0,0,1,0,1|2,0,0]=4 632 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,0,0,1,0,1|2,0,0]=4 633 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|0,0,2]=4 634 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,1|2,0,0]=4 635 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,1|2,0,0]=4 636 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,1|1,0,0]=3 637 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,1|2,0,0]=4 638 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,1|2,0,0]=4 639 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,1|2,0,0]=4 640 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,1|2,0,0]=4 641 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,1|2,0,0]=4 642 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,1|2,0,0]=4 643 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,1|2,0,0]=4 644 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,1|1,0,0]=3 645 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,1|1,0,0]=3 646 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,1|1,0,0]=3 647 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,1|2,0,0]=4 648 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,1|2,0,0]=4 649 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,1|2,0,0]=4 650 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,1|2,0,0]=4 651 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|1,0,0]=3 652 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,1|1,0,1]=4 653 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,1|2,0,0]=4 654 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,1|2,0,0]=4 655 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,1|1,0,1]=4 656 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,1|2,0,0]=4 657 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,1|2,0,0]=4 658 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,1|2,0,0]=4 659 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,1|1,0,1]=4 660 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,1|1,0,1]=4 661 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,0,0,0,0,2|2,0,0]=4 662 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,0,0,0,0,2|2,0,0]=4 663 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,0,0,0,0,2|2,0,0]=4 664 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,0,0,0,0,2|2,0,0]=4 665 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,0,0,0,0,2|2,0,0]=4 666 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,0,0,0,0,2|2,0,0]=4 667 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,0,0,0,0,2|2,0,0]=4 668 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,2|2,0,0]=4 669 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,2|2,0,0]=4 670 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,2|2,0,0]=4 671 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,2|2,0,0]=4 672 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,0,0,0,0,2|2,0,0]=4 673 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,0,0,0,0,2|2,0,0]=4 674 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,0,0,0,0,2|2,0,0]=4 675 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,0,0,0,0,2|2,0,0]=4 676 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,0,0,0,0,2|1,0,1]=4 677 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,2|1,0,0]=3 678 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,0,0,0,0,2|2,0,0]=4 679 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,0,0,0,0,2|2,0,0]=4 680 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,0,0,0,0,2|1,0,1]=4 681 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,0,0,0,0,2|2,0,0]=4 682 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,0,0,0,0,2|2,0,0]=4 683 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,0,0,0,0,2|2,0,0]=4 684 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,0,0,0,0,2|2,0,0]=4 685 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,0,0,0,0,2|2,0,0]=4 686 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,0,0,0,0,2|2,0,0]=4 687 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,0,0,0,0,2|1,0,1]=4 688 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,0,0,0,0,2|1,0,1]=4 689 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,0,0,0,0,2|2,0,0]=4 690 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,0,0,0,0,2|2,0,0]=4 691 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,0,0,0,0,2|2,0,0]=4 692 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,0,0,0,0,2|2,0,0]=4 693 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,0,0,0,0,2|2,0,0]=4 694 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,0,0,0,0,2|2,0,0]=4 695 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,0,0,0,0,2|2,0,0]=4 696 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,0,0,0,0,2|2,0,0]=4 697 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,0,0,0,0,2|1,0,1]=4 698 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,0,0,0,0,2|1,0,1]=4 699 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,2|1,0,0]=3 700 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,0,0,0,0,2|1,0,1]=4 701 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,0,2|2,0,0]=4 702 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,0,2|2,0,0]=4