0 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.14 CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210202 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.14 CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210202 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.14 CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210202 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.14 CNC(=O)C1CCC(=O)N1 240690a_100102657272_100000210400 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.14 CNC(=O)C1CNC(=O)C1 11a_106832991635_100000747279 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.14 CNC(=O)C1CNC(=O)C1 1626a_100102657272_100000747279 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.14 CNC(=O)C1CNC(=O)C1 240690a_100102657272_100000747279 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.14 CNC(=O)C1CNC(=O)C1 527a_100102657272_100000747279 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.14 CNC(=O)C1CNC(=O)N1 11a_106832991635_100000033324 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.14 CNC(=O)C1CNC(=O)N1 240690a_100102657272_100000033324 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.14 CNC(=O)[C@@H]1CSC(=O)N1 240690a_100102657272_100000735014 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.14 O=C1CC(CN1)C(=O)CF 1458a_100000747279_100015361967 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.14 O=C1CCC(N1)C(=O)CF 1458a_100000210400_100015361967 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.14 O=C1CN(CN1)C(=O)CO 240690a_200000708111_100000210174 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.14 O=C1CN(CN1)C(=O)CO 527a_200000708111_100000210174 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.14 O=C1NCC(N1)C(=O)CF 1458a_100000033324_100015361967 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.14 O=C1N[C@@H](CS1)C(=O)CF 1458a_100000735014_100015361967 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.194 CC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_200000210301 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)[13CH3] 1458a_100010979499_200025704644 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,0,1,0,0,0|2,0,0]=3 95 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,0,1,0,0,0|2,0,0]=3 98 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,0,1,0,0,0|3,0,0]=4 106 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,0,1,0,0,0|1,0,2]=4 107 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,0,1,0,0,0|1,0,2]=4 108 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,0,1,0,0,0|1,0,2]=4 109 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,0,1,0,0,0|2,0,1]=4 111 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,1,0,0,0|2,0,1]=4 114 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,1,0,0,0|2,0,1]=4 115 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,1,0,0,0|1,0,0]=2 120 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,1,0,0,0|1,0,0]=2 121 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,1,0,0,0|1,0,0]=2 122 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,1,0,0,0|1,0,0]=2 123 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,1,0,0,0|1,0,0]=2 124 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,1,0,0,0|1,0,1]=3 129 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,1,0,0,0|1,0,1]=3 130 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,1,0,0,0|1,0,1]=3 131 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,0,1,0,0,0|2,0,1]=4 132 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,0,1,0,0,0|2,0,1]=4 133 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,1,0,0,0|2,0,0]=3 136 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,1,0,0,0|2,0,0]=3 137 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,1,0,0,0|2,0,1]=4 138 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,1,0,0,0|1,0,1]=3 140 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,1,0,0,0|3,0,0]=4 141 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,1,0,0,0|3,0,0]=4 142 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,1,0,0,0|3,0,0]=4 143 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,1,0,0,0|3,0,0]=4 144 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,1,0,0,0|3,0,0]=4 145 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,1,0,0,0|2,0,0]=3 147 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,1,0,0,0|2,0,0]=3 149 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,1,0,0,0|2,0,0]=3 150 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,0,1,0,0,0|2,0,1]=4 151 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,0,1,0,0,0|2,0,1]=4 153 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,0,1,0,0,0|2,0,1]=4 154 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,0,1,0,0,0|2,0,1]=4 155 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,0,1,0,0,0|3,0,0]=4 157 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,1,0,0,0|3,0,0]=4 158 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,1,0,0,0|2,0,0]=3 160 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,1,0,0,0|2,0,1]=4 162 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,1,0,0,0|2,0,1]=4 163 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,0,1,0,0,0|3,0,0]=4 164 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,0,1,0,0,0|2,0,0]=3 165 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,0,1,0,0,0|2,0,0]=3 166 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,0,1,0,0,0|2,0,1]=4 169 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,0,1,0,0,0|2,0,1]=4 171 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,0,1,0,0,0|1,0,1]=3 172 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,0,1,0,0,0|1,0,1]=3 173 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,0,1,0,0,0|2,0,1]=4 174 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,1,0,0,0|2,0,1]=4 175 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,1,0,0,0|3,0,0]=4 177 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,1,0,0,0|2,0,1]=4 179 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,1,0,0,0|2,0,1]=4 180 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,1,0,0,0|2,0,1]=4 181 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,1,0,0,0|2,0,1]=4 182 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,1,0,0,0|1,0,0]=2 183 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,1,0,0,0|1,0,0]=2 184 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,1,0,0,0|1,0,0]=2 185 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,1,0,0,0|1,0,0]=2 186 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,1,0,0,0|1,0,0]=2 187 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,1,0,0,0|2,0,0]=3 188 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,1,0,0,0|2,0,0]=3 189 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,1,0,0,0|2,0,0]=3 190 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,1,0,0,0|2,0,1]=4 192 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,1,0,0,0|1,0,1]=3 193 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,1,0,0,0|2,0,1]=4 194 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,1,0,0,0|2,0,1]=4 195 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,1,0,0,0|3,0,0]=4 196 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,1,0,0,0|3,0,0]=4 197 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,1,0,0,0|3,0,0]=4 198 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,1,0,0,0|3,0,0]=4 199 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,1,0,0,0|3,0,0]=4 200 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,1,0,0,0|3,0,0]=4 201 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,1,0,0,0|3,0,0]=4 203 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [0,0,1,0,0,0|3,0,0]=4 204 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [0,0,1,0,0,0|3,0,0]=4 206 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,1,0,0,0|2,0,0]=3 207 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,1,0,0,0|1,0,0]=2 208 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,1,0,0,0|2,0,1]=4 209 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,0,1,0,0,0|2,0,1]=4 210 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,1,0,0,0|3,0,0]=4 212 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,1,0,0,0|2,0,0]=3 214 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,1,0,0,0|2,0,0]=3 215 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,1,0,0,0|3,0,0]=4 216 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,1,0,0,0|2,0,0]=3 217 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,1,0,0,0|3,0,0]=4 218 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,1,0,0,0|2,0,0]=3 219 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,1,0,0,0|2,0,0]=3 220 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,1,0,0,0|2,0,1]=4 221 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,1,0,0,0|2,0,0]=3 222 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,1,0,0,0|2,0,0]=3 223 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,1,0,0,0|2,0,0]=3 224 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,1,0,0,0|3,0,0]=4 225 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,1,0,0,0|3,0,0]=4 226 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,1,0,0,0|2,0,1]=4 227 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,1,0,0,0|2,0,1]=4 228 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,1,0,0,0|2,0,1]=4 229 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,1,0,0,0|2,0,1]=4 230 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,1,0,0,0|2,0,1]=4 231 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,1,0,0,0|3,0,0]=4 232 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,1,0,0,0|3,0,0]=4 233 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,1,0,0,0|3,0,0]=4 234 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,1,0,0,0|2,0,1]=4 235 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,1,0,0,0|2,0,1]=4 236 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,1,0,0,0|2,0,1]=4 237 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,1,0,0,0|2,0,0]=3 238 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,1,0,0,0|1,0,0]=2 239 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,1,0,0,0|2,0,0]=3 240 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,1,0,0,0|1,0,1]=3 241 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,1,0,0,0|1,0,1]=3 242 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [0,0,1,0,0,0|2,0,1]=4 243 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,1,0,0,0|3,0,0]=4 244 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,1,0,0,0|2,0,0]=3 245 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,1,0,0,0|2,0,1]=4 246 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,0,1,0,0,0|2,0,1]=4 247 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,0,1,0,0,0|3,0,0]=4 248 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,1,0,0,0|2,0,0]=3 249 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,1,0,0,0|2,0,0]=3 250 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,0,1,0|3,0,0]=4 251 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,0,1,0|3,0,0]=4 252 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,0,1,0|1,0,0]=2 253 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,0,1,0|1,0,0]=2 254 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,0,1,0|1,0,0]=2 255 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,0,1,0|3,0,0]=4 256 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,0,1,0|2,0,0]=3 257 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,0,1,0|2,0,0]=3 258 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,0,0,1|3,0,0]=4 259 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,0,0,1|3,0,0]=4 260 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,0,0,1|1,0,1]=3 261 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,0,0,1|1,0,0]=2 263 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,0,0,1|1,0,1]=3 266 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,0,0,1|1,0,0]=2 269 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,0,0,1|1,0,0]=2 272 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,0,0,1|2,0,0]=3 273 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,0,0,1|1,0,0]=2 281 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,0,0,1|1,0,0]=2 284 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,0,0,0,0,1|2,0,0]=3 292 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,0,0,1|1,0,0]=2 293 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,0,0,0,0,1|2,0,0]=3 294 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,0,0,1|1,0,0]=2 296 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,0,0,1|1,0,0]=2 297 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [1,0,1,0,0,0|1,0,1]=4 300 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [1,0,1,0,0,0|1,0,1]=4 301 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,0,1,0,0,0|1,0,0]=3 304 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,0,1,0,0,0|1,0,0]=3 305 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,0,1,0,0,0|1,0,0]=3 306 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,0,1,0,0,0|2,0,0]=4 312 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|1,0,1]=4 315 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [1,0,1,0,0,0|1,0,1]=4 316 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [1,0,1,0,0,0|1,0,1]=4 317 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 318 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,1,0,0,0|0,0,1]=3 322 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,1,0,0,0|0,0,1]=3 323 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 326 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,1,0,0,0|1,0,1]=4 330 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,1,0,0,0|1,0,1]=4 331 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,1,0,0,0|1,0,1]=4 333 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,1,0,0,0|1,0,1]=4 334 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,1,0,0,0|2,0,0]=4 335 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,1,0,0,0|2,0,0]=4 336 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,1,0,0,0|2,0,0]=4 337 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,0,1,0,0,0|2,0,0]=4 338 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,0,1,0,0,0|2,0,0]=4 339 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,0,1,0,0,0|2,0,0]=4 341 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,0,1,0,0,0|2,0,0]=4 342 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,1,0,0,0|2,0,0]=4 347 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,1,0,0,0|2,0,0]=4 349 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|1,0,1]=4 350 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|0,0,1]=3 351 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|2,0,0]=4 354 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|2,0,0]=4 355 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|1,0,1]=4 357 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|1,0,1]=4 360 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,0,1,0,0,0|1,0,0]=3 361 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,1,0,0,0|1,0,1]=4 362 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,1,0,0,0|1,0,1]=4 363 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,1,0,0,0|1,0,1]=4 364 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,0,1,0,0,0|1,0,0]=3 365 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,0,1,0,0,0|1,0,0]=3 366 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,1,0,0,0|1,0,1]=4 367 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,1,0,0,0|1,0,1]=4 368 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|1,0,1]=4 369 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|1,0,1]=4 370 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,1,0,0,0|1,0,0]=3 371 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,0,1,0,0,0|1,0,1]=4 372 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,0,1,0,0,0|1,0,1]=4 373 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|1,0,1]=4 374 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|2,0,0]=4 375 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,1,0,0,0|2,0,0]=4 376 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,1,0,0,0|2,0,0]=4 377 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|2,0,0]=4 378 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|1,0,1]=4 379 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,1,0,0,0|1,0,1]=4 380 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|0,0,1]=3 381 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,1,0,0,0|1,0,1]=4 382 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,1,0,0,0|1,0,1]=4 383 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|2,0,0]=4 384 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,1,0,0,0|1,0,1]=4 385 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,1,0,0,0|2,0,0]=4 386 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,1,0,0,0|2,0,0]=4 387 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,1,0,0,0|2,0,0]=4 388 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,1,0,0,0|2,0,0]=4 389 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,1,0,0,0|2,0,0]=4 390 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,1,0,0,0|1,0,0]=3 391 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,1,0,0,0|2,0,0]=4 392 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,1,0,0,0|2,0,0]=4 393 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,1,0,0,0|2,0,0]=4 394 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,1,0,0,0|1,0,0]=3 395 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,1,0,0,0|1,0,0]=3 396 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,1,0,0,0|1,0,0]=3 397 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,1,0,0,0|1,0,0]=3 398 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,1,0,0,0|1,0,1]=4 399 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,1,0,0,0|1,0,1]=4 400 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,1,0,0,0|1,0,1]=4 401 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,1,0,0,0|2,0,0]=4 402 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,1,0,0,0|2,0,0]=4 403 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,1,0,0,0|2,0,0]=4 404 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,1,0,0,0|1,0,1]=4 405 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,1,0,0,0|2,0,0]=4 406 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,1,0,0,0|2,0,0]=4 407 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,0,1,0,0,0|2,0,0]=4 408 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,0,1,0,0,0|2,0,0]=4 409 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,1,0,0,0|1,0,1]=4 410 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,1,0,0,0|1,0,1]=4 411 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,1,0,0,0|1,0,1]=4 412 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,1,0,0,0|1,0,1]=4 413 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,1,0,0,0|1,0,1]=4 414 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,1,0,0,0|1,0,1]=4 415 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,1,0,0,0|1,0,1]=4 416 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|0,0,1]=3 417 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|0,0,1]=3 418 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,1,0,0,0|1,0,1]=4 419 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,1,0,0,0|1,0,1]=4 420 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [1,0,1,0,0,0|1,0,1]=4 421 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [1,0,1,0,0,0|1,0,1]=4 422 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [1,0,1,0,0,0|1,0,1]=4 423 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [1,0,1,0,0,0|1,0,1]=4 424 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,1,0,0,0|2,0,0]=4 426 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,1,0,0,0|1,0,1]=4 427 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [1,0,1,0,0,0|1,0,1]=4 428 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [1,0,1,0,0,0|1,0,1]=4 429 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [1,0,1,0,0,0|1,0,1]=4 430 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,1,0,0,0|1,0,1]=4 431 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,1,0,0,0|1,0,1]=4 432 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,1,0,0,0|1,0,1]=4 433 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,1,0,0,0|1,0,1]=4 434 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,1,0,0,0|0,0,1]=3 435 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,1,0,0,0|0,0,1]=3 436 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,1,0,0,0|1,0,1]=4 437 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,1,0,0,0|1,0,1]=4 438 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,1,0,0,0|1,0,1]=4 439 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,1,0,0,0|1,0,1]=4 440 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,1,1,0,0,0|2,0,0]=4 441 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,1,0,0,0|2,0,0]=4 442 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,1,0,0,0|2,0,0]=4 443 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [0,1,1,0,0,0|2,0,0]=4 444 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [0,1,1,0,0,0|2,0,0]=4 445 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [0,1,1,0,0,0|2,0,0]=4 446 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [0,1,1,0,0,0|2,0,0]=4 447 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [0,1,1,0,0,0|2,0,0]=4 448 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,1,0,0,0|2,0,0]=4 449 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,1,0,0,0|2,0,0]=4 451 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,1,0,0,0|2,0,0]=4 452 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [0,1,1,0,0,0|2,0,0]=4 453 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,1,0,0,0|2,0,0]=4 455 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,1,0,0,0|2,0,0]=4 456 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,1,1,0,0,0|2,0,0]=4 458 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,1,1,0,0,0|2,0,0]=4 459 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,1,0,0,0|1,0,0]=3 460 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [0,1,1,0,0,0|1,0,0]=3 461 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,1,0,0,0|1,0,0]=3 462 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,1,1,0,0,0|1,0,1]=4 463 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,1,1,0,0,0|1,0,1]=4 464 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,1,1,0,0,0|1,0,1]=4 465 B9R0.23 C=C(C)CN(C)C(=O)CC 11a_100000225649_100000210414 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.23 C=C(C)CN(C)C(=O)CC 1626a_100000225649_100000210414 [0,1,1,0,0,0|2,0,0]=4 467 B9R0.23 C=C(C)CN(C)C(=O)CC 527a_100000225649_100000210414 [0,1,1,0,0,0|2,0,0]=4 468 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,1,1,0,0,0|1,0,0]=3 469 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,1,1,0,0,0|1,0,0]=3 470 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [0,1,1,0,0,0|1,0,1]=4 471 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [0,1,1,0,0,0|1,0,1]=4 472 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,1,0,0,0|1,0,1]=4 473 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,1,1,0,0,0|2,0,0]=4 474 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [0,1,1,0,0,0|2,0,0]=4 475 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [0,1,1,0,0,0|2,0,0]=4 476 B9R0.24 C=CC(=O)NNC(=O)CC 22a_100000183195_100000185746 [0,1,1,0,0,0|2,0,0]=4 477 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,1,0,0,0|2,0,0]=4 478 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,1,0,0,0|1,0,0]=3 479 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,1,1,0,0,0|1,0,0]=3 480 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,1,1,0,0,0|1,0,0]=3 482 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,1,1,0,0,0|1,0,0]=3 483 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,1,1,0,0,0|1,0,0]=3 484 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,1,1,0,0,0|1,0,0]=3 485 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,1,1,0,0,0|1,0,0]=3 486 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,1,1,0,0,0|1,0,0]=3 487 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,1,1,0,0,0|1,0,0]=3 488 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,1,1,0,0,0|1,0,0]=3 489 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,1,0,0,0|0,0,0]=2 490 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,1,1,0,0,0|1,0,1]=4 491 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,1,1,0,0,0|1,0,1]=4 492 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,1,0,0,0|1,0,1]=4 493 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,1,0,0,0|1,0,1]=4 494 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,1,0,0,0|1,0,1]=4 495 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [0,1,1,0,0,0|1,0,1]=4 496 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [0,1,1,0,0,0|1,0,1]=4 497 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [0,1,1,0,0,0|1,0,1]=4 498 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [0,1,1,0,0,0|1,0,1]=4 499 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,1,1,0,0,0|1,0,1]=4 500 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,1,1,0,0,0|1,0,1]=4 501 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,1,1,0,0,0|0,0,2]=4 502 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,1,1,0,0,0|0,0,2]=4 503 B9R0.24 CCC(=O)NN=C(C)CO 4a_100000183195_100000211253 [0,1,1,0,0,0|2,0,0]=4 504 B9R0.24 CCC(=O)NNC(=O)CC 22a_100000183195_100000210414 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,1,1,0,0,0|1,0,0]=3 506 B9R0.24 CCC(=O)NNC(=O)NC 273464a_100102657272_100000183195 [0,1,1,0,0,0|2,0,0]=4 507 B9R0.24 CCC(=O)NNC(=O)NC 512a_106832991638_100000183195 [0,1,1,0,0,0|2,0,0]=4 508 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,1,0,0,0|1,0,1]=4 509 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,1,0,0,0|2,0,0]=4 510 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,1,0,0,0|2,0,0]=4 511 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,1,0,0,0|2,0,0]=4 512 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,1,0,0,0|2,0,0]=4 513 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [0,1,1,0,0,0|2,0,0]=4 514 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [0,1,1,0,0,0|2,0,0]=4 515 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [0,1,1,0,0,0|2,0,0]=4 516 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [0,1,1,0,0,0|2,0,0]=4 517 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [0,1,1,0,0,0|2,0,0]=4 518 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [0,1,1,0,0,0|2,0,0]=4 519 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,1,1,0,0,0|2,0,0]=4 520 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,1,1,0,0,0|2,0,0]=4 521 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,1,1,0,0,0|2,0,0]=4 522 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,1,0,0,0|2,0,0]=4 524 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,1,1,0,0,0|1,0,0]=3 525 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,1,1,0,0,0|1,0,1]=4 527 B9R0.48 C#CCC(=O)NCC(=O)N 527a_100000711301_100011220946 [0,1,1,0,0,0|1,0,1]=4 528 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,1,1,0,0,0|2,0,0]=4 529 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,1,1,0,0,0|2,0,0]=4 530 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,1,1,0,0,0|2,0,0]=4 531 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,1,1,0,0,0|2,0,0]=4 532 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,1,1,0,0,0|2,0,0]=4 533 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,1,1,0,0,0|2,0,0]=4 534 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,1,1,0,0,0|2,0,0]=4 535 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,1,1,0,0,0|2,0,0]=4 536 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,1,1,0,0,0|2,0,0]=4 537 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,1,1,0,0,0|2,0,0]=4 538 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,1,1,0,0,0|2,0,0]=4 539 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,1,1,0,0,0|2,0,0]=4 540 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,1,1,0,0,0|2,0,0]=4 541 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,1,1,0,0,0|2,0,0]=4 542 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,1,1,0,0,0|2,0,0]=4 544 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,1,1,0,0,0|2,0,0]=4 545 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,1,1,0,0,0|2,0,0]=4 546 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,1,1,0,0,0|2,0,0]=4 547 B9R0.48 C=CCC(=O)NCC(=O)N 11a_100000711301_100000210193 [0,1,1,0,0,0|1,0,1]=4 548 B9R0.48 C=CCC(=O)NCC(=O)N 240690a_100000711301_100000210193 [0,1,1,0,0,0|1,0,1]=4 549 B9R0.48 C=CCC(=O)NCC(=O)N 527a_100000711301_100000210193 [0,1,1,0,0,0|1,0,1]=4 550 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,1,1,0,0,0|2,0,0]=4 551 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,1,1,0,0,0|2,0,0]=4 552 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,1,1,0,0,0|2,0,0]=4 553 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,1,0,0,0|1,0,1]=4 554 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,1,1,0,0,0|1,0,1]=4 555 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,1,1,0,0,0|1,0,1]=4 556 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,1,1,0,0,0|1,0,1]=4 557 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,1,0,0,0|2,0,0]=4 558 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,1,0,0,0|1,0,0]=3 559 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,1,0,0,0|1,0,0]=3 560 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,1,0,0,0|1,0,0]=3 561 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,1,1,0,0,0|1,0,1]=4 562 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,1,1,0,0,0|1,0,1]=4 563 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,1,1,0,0,0|1,0,1]=4 564 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,1,1,0,0,0|2,0,0]=4 565 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,1,1,0,0,0|2,0,0]=4 566 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,1,0,0,0|1,0,1]=4 568 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,1,0,0,0|2,0,0]=4 569 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,1,0,0,0|2,0,0]=4 570 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,1,0,0,0|2,0,0]=4 571 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,1,0,0,0|2,0,0]=4 572 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,1,1,0,0,0|1,0,0]=3 573 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,1,1,0,0,0|1,0,0]=3 574 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,1,1,0,0,0|1,0,0]=3 575 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,1,1,0,0,0|1,0,0]=3 576 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,1,1,0,0,0|1,0,1]=4 577 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,1,1,0,0,0|1,0,1]=4 578 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,1,1,0,0,0|1,0,1]=4 579 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,1,1,0,0,0|1,0,1]=4 580 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,1,1,0,0,0|1,0,1]=4 581 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,1,1,0,0,0|2,0,0]=4 582 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,1,1,0,0,0|2,0,0]=4 583 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,1,0,0,0|2,0,0]=4 584 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,1,0,0,0|2,0,0]=4 585 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,1,0,0,0|1,0,0]=3 586 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,1,0,0,0|1,0,0]=3 587 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,1,0,0,0|0,0,0]=2 588 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,1,1,0,0,0|2,0,0]=4 589 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,1,1,0,0,0|2,0,0]=4 590 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,1,1,0,0,0|2,0,0]=4 591 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,1,1,0,0,0|2,0,0]=4 592 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,1,1,0,0,0|1,0,0]=3 593 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,1,1,0,0,0|1,0,0]=3 594 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,1,1,0,0,0|1,0,0]=3 595 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,1,1,0,0,0|1,0,1]=4 596 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,1,1,0,0,0|1,0,1]=4 597 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,1,1,0,0,0|1,0,1]=4 598 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,1,1,0,0,0|2,0,0]=4 599 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,1,1,0,0,0|2,0,0]=4 600 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,1,0,0,0|1,0,1]=4 601 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,1,1,0,0,0|1,0,0]=3 602 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,1,1,0,0,0|1,0,0]=3 603 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,1,1,0,0,0|1,0,0]=3 604 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,1,1,0,0,0|1,0,1]=4 605 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,1,1,0,0,0|1,0,1]=4 606 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,1,1,0,0,0|1,0,1]=4 607 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,1,1,0,0,0|2,0,0]=4 608 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,1,1,0,0,0|2,0,0]=4 609 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,1,1,0,0,0|2,0,0]=4 610 B9R0.48 N#CCC(=O)NCC(=O)N 240690a_100000711301_100051588842 [0,1,1,0,0,0|1,0,1]=4 611 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,1,0,0,0|2,0,0]=4 613 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,1,1,0,0,0|1,0,0]=3 614 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,1,0,0,0|0,0,0]=2 615 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,1,1,0,0,0|1,0,1]=4 616 B9R0.64 CCS(=O)(=O)NCC(=O)N 270084a_100000711301_100000211323 [0,1,1,0,0,0|2,0,0]=4 617 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,1,1,0,0,0|1,0,1]=4 618 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,1,1,0,0,0|1,0,1]=4 619 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,1,1,0,0,0|1,0,1]=4 620 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,1,1,0,0,0|1,0,1]=4 621 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,1,1,0,0,0|1,0,1]=4 622 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,1,1,0,0,0|1,0,1]=4 623 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,1,1,0,0,0|1,0,1]=4 624 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,1,1,0,0,0|1,0,1]=4 625 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,1,1,0,0,0|1,0,1]=4 626 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,1,1,0,0,0|1,0,1]=4 627 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,1,1,0,0,0|1,0,1]=4 628 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,1,1,0,0,0|1,0,1]=4 629 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,1,1,0,0,0|1,0,1]=4 630 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,1,1,0,0,0|2,0,0]=4 631 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,1,1,0,0,0|2,0,0]=4 632 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,1,1,0,0,0|2,0,0]=4 633 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,1,1,0,0,0|1,0,0]=3 634 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,1,1,0,0,0|1,0,0]=3 635 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,1,1,0,0,0|1,0,0]=3 636 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,1,1,0,0,0|1,0,0]=3 637 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,1,1,0,0,0|1,0,0]=3 638 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,1,1,0,0,0|1,0,0]=3 639 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,1,1,0,0,0|1,0,0]=3 640 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,1,1,0,0,0|1,0,0]=3 641 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,1,0,0,0|1,0,1]=4 642 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,1,1,0,0,0|1,0,1]=4 643 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,1,1,0,0,0|1,0,1]=4 644 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,1,1,0,0,0|1,0,1]=4 645 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,1,1,0,0,0|1,0,1]=4 646 B9R0.74 CCC(C)(NCF)C(=O)O 269956a_100025756313_100015361967 [0,1,1,0,0,0|1,0,1]=4 647 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,1,1,0,0,0|1,0,1]=4 648 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,1,1,0,0,0|1,0,1]=4 649 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,1,1,0,0,0|1,0,1]=4 650 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,1,1,0,0,0|1,0,1]=4 651 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,1,1,0,0,0|1,0,1]=4 652 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [0,1,1,0,0,0|1,0,0]=3 653 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,1,1,0,0,0|1,0,0]=3 654 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,1,1,0,0,0|1,0,0]=3 655 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,1,1,0,0,0|1,0,0]=3 656 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [0,1,1,0,0,0|1,0,0]=3 657 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.57 C[C@@H](NS(=O)(=O)C)C(=O)N 40a_100000119354_100000738038 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,1,0,0,0|1,0,1]=4 661 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,1,0,0,0|1,0,1]=4 662 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,1,0,0,0|2,0,0]=4 663 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [0,1,1,0,0,0|1,0,0]=3 664 B9R0.1 C#CC(=O)CCNC(=O)N 1458a_100000211873_200000034859 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.1 C#CC(=O)CCOC(=O)N 1458a_100000211873_200011214921 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,1,0,0,0|2,0,0]=4 667 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,1,1,0,0,0|1,0,0]=3 668 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,1,1,0,0,0|2,0,0]=4 669 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,1,0,0,0|1,0,0]=3 672 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,1,0,0,0|2,0,0]=4 673 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,1,0,0,0|2,0,0]=4 674 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,1,0,0,0|1,0,0]=3 676 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,1,1,0,0,0|2,0,0]=4 677 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,1,1,0,0,0|2,0,0]=4 678 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,1,0,0,0|2,0,0]=4 679 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,1,0,0,0|2,0,0]=4 680 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,1,1,0,0,0|2,0,0]=4 681 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,1,1,0,0,0|2,0,0]=4 682 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,1,1,0,0,0|2,0,0]=4 683 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,1,1,0,0,0|2,0,0]=4 684 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,1,0,0,0|2,0,0]=4 685 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,1,0,0,0|2,0,0]=4 686 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,1,0,0,0|2,0,0]=4 687 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,1,0,0,0|1,0,0]=3 688 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,1,0,0,0|1,0,1]=4 689 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,1,0,0,0|1,0,1]=4 690 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,1,1,0,0,0|1,0,1]=4 691 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,1,1,0,0,0|1,0,1]=4 692 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,1,1,0,0,0|1,0,1]=4 693 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,1,1,0,0,0|1,0,1]=4 694 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,1,0,0,0|2,0,0]=4 695 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,1,0,0,0|2,0,0]=4 696 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,1,0,0,0|2,0,0]=4 697 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,1,0,0,0|2,0,0]=4 698 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,1,0,0,0|2,0,0]=4 699 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,1,0,0,0|2,0,0]=4 700 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,1,0,0,0|2,0,0]=4 701 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,1,1,0,0,0|2,0,0]=4 702 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,1,1,0,0,0|2,0,0]=4 703 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,1,0,0,0|2,0,0]=4 704 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,1,0,0,0|2,0,0]=4 705 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,1,1,0,0,0|2,0,0]=4 707 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,1,0,0,0|1,0,0]=3 708 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,1,0,0,0|2,0,0]=4 709 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [0,1,1,0,0,0|2,0,0]=4 710 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [0,1,1,0,0,0|2,0,0]=4 711 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [0,1,1,0,0,0|2,0,0]=4 712 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [0,1,1,0,0,0|2,0,0]=4 713 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [0,1,1,0,0,0|1,0,1]=4 714 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,1,1,0,0,0|2,0,0]=4 715 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,1,1,0,0,0|2,0,0]=4 716 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,1,1,0,0,0|2,0,0]=4 717 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,1,1,0,0,0|2,0,0]=4 718 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,1,1,0,0,0|2,0,0]=4 719 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,1,1,0,0,0|1,0,1]=4 720 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,1,1,0,0,0|1,0,1]=4 721 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [0,1,1,0,0,0|2,0,0]=4 722 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [0,1,1,0,0,0|2,0,0]=4 723 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [0,1,1,0,0,0|2,0,0]=4 724 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [0,1,1,0,0,0|2,0,0]=4 725 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,1,0,0,0|2,0,0]=4 726 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,1,0,0,0|1,0,0]=3 727 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,1,0,0,0|1,0,0]=3 728 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,1,0,0,0|1,0,0]=3 729 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,1,0,0,0|2,0,0]=4 730 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,1,0,0,0|1,0,0]=3 731 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,1,0,0,0|2,0,0]=4 732 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,1,0,0,0|2,0,0]=4 733 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,1,0,0,0|2,0,0]=4 734 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,1,1,0,0,0|1,0,0]=3 735 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,1,1,0,0,0|1,0,0]=3 736 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,1,0,0,0|2,0,0]=4 737 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,1,1,0,0,0|2,0,0]=4 738 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,1,1,0,0,0|2,0,0]=4 739 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,1,0,0,0|0,0,0]=2 740 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,1,1,0,0,0|1,0,0]=3 741 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,1,1,0,0,0|1,0,0]=3 742 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [0,1,1,0,0,0|2,0,0]=4 743 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,1,1,0,0,0|2,0,0]=4 744 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,1,1,0,0,0|1,0,0]=3 745 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,1,1,0,0,0|1,0,0]=3 746 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,1,1,0,0,0|2,0,0]=4 747 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,1,1,0,0,0|2,0,0]=4 748 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,1,1,0,0,0|1,0,0]=3 749 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,1,1,0,0,0|2,0,0]=4 750 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,1,1,0,0,0|1,0,1]=4 751 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,1,1,0,0,0|0,0,2]=4 752 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,1,1,0,0,0|2,0,0]=4 753 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [0,1,1,0,0,0|2,0,0]=4 754 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [0,1,1,0,0,0|2,0,0]=4 755 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [0,1,1,0,0,0|2,0,0]=4 756 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [0,1,1,0,0,0|2,0,0]=4 757 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,1,0,0,0,0|1,0,1]=4 759 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,1,0,0,0,0|1,0,1]=4 760 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,1,0,0,0,0|1,0,1]=4 761 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,1,0,0,0,0|0,0,1]=3 762 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [1,1,0,0,0,0|1,0,1]=4 763 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,1,0,0,0,0|0,1,1]=4 764 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,1,0,0,0,0|0,1,1]=4 765 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,1,0,0,0,0|1,0,1]=4 766 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,1,0,0,0,0|0,0,1]=3 768 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,1,0,0,0,0|0,1,1]=4 769 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,1,0,0,0,0|0,1,1]=4 770 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,1,0,0,0,0|1,0,1]=4 771 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,1,0,0,0,0|1,0,1]=4 773 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,1,0,0,0,0|1,0,1]=4 775 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,1,0,0,0,0|0,0,1]=3 776 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,1,0,0,0,0|1,0,1]=4 779 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,1,0,0,0,0|0,0,1]=3 782 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,0,1,0|1,0,0]=3 785 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [0,1,0,0,1,0|1,0,0]=3 786 B9R1.82 O=C1C[C@H](N1)C(=O)CF 1458a_100016090685_100015361967 [0,1,0,0,1,0|1,0,0]=3 787 B9R1.81 C#CC(=O)C1CCC1=O 1458a_100000211873_100009892977 [0,1,0,0,1,0|1,0,0]=3 788 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [0,1,0,0,1,0|1,0,0]=3 789 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,0,1,0|1,0,0]=3 790 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,0,1,0|2,0,0]=4 791 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,0,1,0|2,0,0]=4 792 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,0,1,0|2,0,0]=4 793 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,0,1,0|2,0,0]=4 794 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,0,1,0|0,0,0]=2 795 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,0,1,0|2,0,0]=4 796 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,0,1,0|2,0,0]=4 797 B11R1.21 CC(=O)C1=NN(C(=O)CC1)C 1458a_100000223367_200000210301 [0,1,0,0,0,1|1,0,1]=4 798 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [0,1,0,0,0,1|1,0,0]=3 799 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [0,1,0,0,0,1|1,0,0]=3 800 B11R1.21 CN1N=C(CCC1=O)C(=O)[13CH3] 1458a_100000223367_200025704644 [0,1,0,0,0,1|1,0,1]=4 801 B11R1.22 CCC(=O)C1=NNC(=O)CC1 1458a_100000183032_100000210202 [0,1,0,0,0,1|1,0,1]=4 802 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,0,0,1|1,0,0]=3 803 B11R1.22 CNC(=O)C1=NNC(=O)CC1 240690a_100102657272_100000183032 [0,1,0,0,0,1|1,0,1]=4 804 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,1,0,0,0,1|1,0,0]=3 805 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,1,0,0,0,1|1,0,0]=3 806 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,1,0,0,0,1|1,0,0]=3 807 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,1,0,0,0,1|1,0,0]=3 808 B11R1.22 O=C1CCC(=NN1)C(=O)CF 1458a_100000183032_100015361967 [0,1,0,0,0,1|1,0,1]=4 809 B11R1.22 O=C1CCC(CN1)C(=O)CF 1458a_100000740907_100015361967 [0,1,0,0,0,1|1,0,0]=3 810 B11R1.166 CC(=O)C1CCC(=O)NC1=O 1458a_100000070787_100000694648 [0,1,0,0,0,1|1,0,0]=3 811 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,1,0,0,0,1|0,0,2]=4 812 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,1,0,0,0,1|0,0,2]=4 813 B11R1.39 C#CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211873_100015189358 [0,1,0,0,0,1|1,0,0]=3 814 B11R1.39 C#CC(=O)C[C@H]1COC(=O)N1 1458a_100000211873_100015307671 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.39 C=CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000185746_100015189358 [0,1,0,0,0,1|1,0,0]=3 816 B11R1.39 C=CC(=O)C[C@H]1COC(=O)N1 1458a_100000185746_100015307671 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,0,0,1|1,0,0]=3 818 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,0,0,1|1,0,0]=3 819 B11R1.39 CCC(=O)C[C@H]1COC(=O)N1 1458a_100000210414_100015307671 [0,1,0,0,0,1|2,0,0]=4 820 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [0,1,0,0,0,1|1,0,0]=3 821 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [0,1,0,0,0,1|1,0,0]=3 822 B11R1.39 O=C(CF)CC1CCC(=O)N1 1458a_100000026770_100015361967 [0,1,0,0,0,1|1,0,0]=3 823 B11R1.39 O=C(CO)CC1CNC(=O)O1 1458a_100000210174_100000181169 [0,1,0,0,0,1|2,0,0]=4 824 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.39 O=C(CO)C[C@@H]1CCC(=O)N1 1458a_100000210174_100015189358 [0,1,0,0,0,1|0,0,0]=2 826 B11R1.39 O=C(CO)C[C@H]1COC(=O)N1 1458a_100000210174_100015307671 [0,1,0,0,0,1|1,0,0]=3 827 B11R1.39 O=C1CC(CN1)NC(=O)CO 240690a_100000697751_100000210174 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.39 O=C1CC(CN1)NC(=O)CO 527a_100000697751_100000210174 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.23 CC1=NCC[C@H](N1)C(=O)CF 1458a_100015271614_100015361967 [0,1,0,0,0,1|2,0,0]=4 830 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,0,0,1|2,0,0]=4 831 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,1,0,0,0,1|1,0,0]=3 832 B11R1.23 CCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100000210202 [0,1,0,0,0,1|2,0,0]=4 833 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,0,0,1|1,0,0]=3 834 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [0,1,0,0,0,1|2,0,0]=4 835 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [0,1,0,0,0,1|2,0,0]=4 836 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [0,1,0,0,0,1|2,0,0]=4 837 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [0,1,0,0,0,1|2,0,0]=4 838 B11R1.23 CNC(=O)C1CSCC(=O)N1 240690a_100102657272_100000045068 [0,1,0,0,0,1|1,0,0]=3 839 B11R1.23 CNC(=O)C1CSCC(=O)N1 527a_100102657272_100000045068 [0,1,0,0,0,1|1,0,0]=3 840 B11R1.23 CNC(=O)[C@@H]1CCN=C(N1)C 11a_106832991635_100015271614 [0,1,0,0,0,1|2,0,0]=4 841 B11R1.23 CNC(=O)[C@@H]1CCN=C(N1)C 1626a_100102657272_100015271614 [0,1,0,0,0,1|2,0,0]=4 842 B11R1.23 CNC(=O)[C@@H]1CCN=C(N1)C 240690a_100102657272_100015271614 [0,1,0,0,0,1|2,0,0]=4 843 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,1,0,0,0,1|1,0,0]=3 844 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,1,0,0,0,1|1,0,0]=3 845 B11R1.23 O=C1CC(CCN1)C(=O)CF 1458a_100000132800_100015361967 [0,1,0,0,0,1|2,0,0]=4 846 B11R1.23 O=C1CCC[C@@H](N1)C(=O)CF 1458a_100000705292_100015361967 [0,1,0,0,0,1|1,0,0]=3 847 B11R1.23 O=C1CN(CCN1)C(=O)CO 240690a_100000184651_100000210174 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.23 O=C1CN(CCN1)C(=O)CO 527a_100000184651_100000210174 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.23 O=C1CN(CCO1)C(=O)CO 240690a_100000131268_100000210174 [0,1,0,0,0,1|2,0,0]=4 850 B11R1.23 O=C1CN(CCO1)C(=O)CO 527a_100000131268_100000210174 [0,1,0,0,0,1|2,0,0]=4 851 B11R1.23 O=C1CSCC(N1)C(=O)CF 1458a_100000045068_100015361967 [0,1,0,0,0,1|1,0,0]=3 852 B11R1.74 CC(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200000210301 [0,1,0,0,0,1|1,0,1]=4 853 B11R1.74 CC(=O)[C@@H]1C[C@H](NC(=S)N1)C 1458a_200015347995_200000210301 [0,1,0,0,0,1|1,1,0]=4 854 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)[13CH3] 1458a_200015347995_200025704644 [0,1,0,0,0,1|1,1,0]=4 855 B11R1.74 [13CH3]C(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200025704644 [0,1,0,0,0,1|1,0,1]=4 856 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,0,0,1|1,0,1]=4 857 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,0,0,1|1,0,1]=4 858 B11R1.15 C#CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000184674 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.15 C#CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000184674 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.15 C#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000184674 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.15 C#CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000184674 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.15 C=CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210623 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.15 C=CCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210623 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.15 C=CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210623 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.15 CCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210303 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.15 CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210303 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.15 CCNC(=O)C1CNC(=O)N1 11a_100015525214_100000033324 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.15 CCNC(=O)C1CNC(=O)N1 240690a_100015525214_100000033324 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.15 CCNC(=O)[C@@H]1CSC(=O)N1 240690a_100015525214_100000735014 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.15 CNNC(=O)C1CCC(=O)N1 22a_100016993582_100000210400 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.15 CNNC(=O)C1CNC(=O)N1 22a_100016993582_100000033324 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.15 CNNC(=O)[C@@H]1CCC(=O)O1 22a_100016993582_100009814974 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.15 CNNC(=O)[C@@H]1CSC(=O)N1 22a_100016993582_100000735014 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.15 N#CCC(=O)C1CCC(=O)N1 1458a_100000210400_100011214920 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.15 N#CCC(=O)C1CNC(=O)N1 1458a_100000033324_100011214920 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.15 N#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214920 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.15 N#CCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100011214920 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.15 O=C1CC(CN1)C(=O)CCO 1458a_100000747279_100000211926 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.15 O=C1CCC(N1)C(=O)CCF 1458a_100000210400_100011217306 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.15 O=C1CCC(N1)C(=O)CCO 1458a_100000210400_100000211926 [0,2,0,0,0,0|0,0,0]=2 888 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.15 O=C1NCC(N1)C(=O)CCF 1458a_100000033324_100011217306 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.15 O=C1NCC(N1)C(=O)CCO 1458a_100000033324_100000211926 [0,2,0,0,0,0|1,0,0]=3 892 B11R1.15 O=C1N[C@@H](CS1)C(=O)CCF 1458a_100000735014_100011217306 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.15 O=C1N[C@@H](CS1)C(=O)CCO 1458a_100000735014_100000211926 [0,2,0,0,0,0|1,0,0]=3 894 B11R1.865 CCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210202 [0,2,0,0,0,0|1,0,0]=3 895 B11R1.865 CN1C(=O)CC[C@@H]1C(=O)CF 1458a_100010979499_100015361967 [0,2,0,0,0,0|1,0,0]=3 896 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 11a_106832991635_100010979499 [0,2,0,0,0,0|1,0,0]=3 897 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 1626a_100102657272_100010979499 [0,2,0,0,0,0|1,0,0]=3 898 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 240690a_100102657272_100010979499 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 527a_100102657272_100010979499 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.866 CNC(=O)C1CCS(=O)(=O)N1 240690a_100102657272_100000048661 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,1,1,0,0|1,0,1]=4 902 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,1,1,0,0|1,0,1]=4 903 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,0,1,1,0,0|1,0,1]=4 904 B9R1.179 O=C(O)C1(CC1)NCF 269956a_100000746478_100015361967 [0,0,1,1,0,0|1,0,1]=4 905 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,1,1,0,0|2,0,0]=4 906 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,1,0,1,0|1,0,0]=3 907 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,1,0,1,0|1,0,0]=3 908 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,1,0,1,0|2,0,0]=4 909 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,1,0,1,0|1,0,1]=4 910 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,1,0,1,0|2,0,0]=4 911 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,1,0,1,0|2,0,0]=4 912 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,0,1,0|2,0,0]=4 913 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,0,1,0|2,0,0]=4 914 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,0,1,0|2,0,0]=4 915 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,0,1,0|2,0,0]=4 919 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,0,1,0|1,0,1]=4 920 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,0,1,0|1,0,1]=4 921 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,0,1,0|2,0,0]=4 922 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,0,1,0|1,0,1]=4 923 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,0,1,0|2,0,0]=4 924 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [0,0,1,0,0,1|2,0,0]=4 925 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,0,1,0,0,1|1,0,1]=4 926 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,0,1,0,0,1|1,0,1]=4 927 B9R0.55 C=C(Br)CCOCC(=O)N 34a_100009813270_100000187820 [0,0,1,0,0,1|2,0,0]=4 928 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,0,1,0,0,1|2,0,0]=4 929 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,1,0,0,1|2,0,0]=4 930 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,0,1,0,0,1|2,0,0]=4 931 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,0,1,0,0,1|2,0,0]=4 932 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,0,1,0,0,1|2,0,0]=4 933 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,0,1,0,0,1|2,0,0]=4 934 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,0,1,0,0,1|2,0,0]=4 935 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,0,1,0,0,1|2,0,0]=4 936 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,0,1,0,0,1|2,0,0]=4 937 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,0,1,0,0,1|2,0,0]=4 938 B9R0.55 C=C(F)COCCC(=O)N 34a_100000757172_100009893438 [0,0,1,0,0,1|2,0,0]=4 939 B9R0.55 C=C(F)COCCC(=O)N 34a_200010262243_100000731001 [0,0,1,0,0,1|2,0,0]=4 940 B9R0.55 C=C(F)COCCC(=O)N 7a_100000757172_100000042424 [0,0,1,0,0,1|2,0,0]=4 941 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [0,0,1,0,0,1|2,0,0]=4 942 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [0,0,1,0,0,1|2,0,0]=4 943 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,1,0,0,1|2,0,0]=4 944 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,0,1,0,0,1|2,0,0]=4 945 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,1,0,0,1|2,0,0]=4 946 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,1,0,0,1|2,0,0]=4 947 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,1,0,0,1|2,0,0]=4 948 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,1,0,0,1|1,0,0]=3 949 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,1,0,0,1|1,0,0]=3 950 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,1,0,0,1|1,0,0]=3 951 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,1,0,0,1|1,0,0]=3 952 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,1,0,0,1|1,0,1]=4 953 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,1,0,0,1|1,0,0]=3 954 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,1,0,0,1|1,0,0]=3 955 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,1,0,0,1|1,0,0]=3 956 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,1,0,0,1|1,0,1]=4 957 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,1,0,0,1|1,0,1]=4 958 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,1,0,0,1|1,0,0]=3 959 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,1,0,0,1|1,0,0]=3 960 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,1,0,0,1|1,0,0]=3 961 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,1,0,0,1|2,0,0]=4 962 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [0,0,1,0,0,1|2,0,0]=4 963 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [0,0,1,0,0,1|2,0,0]=4 964 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,1,0,0,1|2,0,0]=4 965 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,1,0,0,1|2,0,0]=4 966 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,1,0,0,1|2,0,0]=4 967 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,1,0,0,1|1,0,1]=4 968 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,1,0,0,1|1,0,1]=4 969 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,1,0,0,1|1,0,1]=4 970 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,1,0,0,1|1,0,1]=4 971 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,1,0,0,1|1,0,1]=4 972 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,1,0,0,1|1,0,1]=4 973 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,1,0,0,1|1,0,1]=4 974 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,1,0,0,1|1,0,1]=4 975 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,1,0,0,1|1,0,1]=4 976 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,1,0,0,1|1,0,1]=4 977 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,1,0,0,1|1,0,1]=4 978 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,1,0,0,1|1,0,1]=4 979 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,1,0,0,1|1,0,1]=4 980 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,1,0,0,1|1,0,1]=4 981 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,1,0,0,1|1,0,0]=3 982 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,1,0,0,1|0,0,0]=2 983 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,1,0,0,1|1,0,0]=3 984 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,1,0,0,1|1,0,0]=3 985 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,1,0,0,1|0,0,1]=3 986 B9R0.55 NC(=O)CCOC[N+](=O)[O-] 34a_100000757172_100000761209 [0,0,1,0,0,1|1,0,1]=4 987 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,1,0,0,1|1,0,0]=3 988 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,1,0,0,1|1,0,0]=3 989 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,1,0,0,1|0,0,1]=3 990 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,1,0,0,1|0,0,1]=3 991 B9R0.55 NC(=O)CCSC[N+](=O)[O-] 62a_100000744528_100000761209 [0,0,1,0,0,1|1,0,1]=4 992 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,1,0,0,1|1,0,0]=3 993 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,1,0,0,1|2,0,0]=4 994 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,0,1,0,0,1|2,0,0]=4 995 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,1,0,0,1|1,0,0]=3 996 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,0,0,1|2,0,0]=4 997 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,0,0,1|2,0,0]=4 998 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,0,0,2|1,0,0]=3 999 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,0,0,2|1,0,0]=3 1000 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,0,0,2|1,0,0]=3 1001 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,0,0,2|1,0,0]=3 1002 B11R1.565 CC(=O)N1CCNC(=O)CC1 11a_100000698595_100015343762 [0,0,0,0,0,2|2,0,0]=4 1003 B11R1.565 CC(=O)N1CCNC(=O)CC1 1626a_100000698595_100015343762 [0,0,0,0,0,2|2,0,0]=4 1004 B11R1.565 CC(=O)N1CCNC(=O)CC1 240690a_100000698595_100015343762 [0,0,0,0,0,2|2,0,0]=4 1005 B11R1.565 CC(=O)N1CCNC(=O)CC1 527a_100000698595_100103153847 [0,0,0,0,0,2|2,0,0]=4 1006 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,0,0,0,0,2|1,0,0]=3 1007 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,0,0,0,0,2|1,0,0]=3 1008 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,0,0,0,0,2|1,0,0]=3 1009 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,0,0,0,0,2|1,0,0]=3 1010 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,0,0,0,0,2|2,0,0]=4 1011 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,0,0,0,0,2|1,0,1]=4 1012 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,0,0,0,0,2|2,0,0]=4 1013 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,0,0,0,0,2|2,0,0]=4 1014 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,0,0,0,0,2|2,0,0]=4 1015 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,0,0,0,0,2|2,0,0]=4