0 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,1,0,0,0,0|3,0,0]=4 48 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,1,0,0,0,0|2,0,0]=3 52 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,0,0|2,0,0]=3 53 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,0|2,0,0]=3 57 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,0,0|3,0,0]=4 61 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,0|3,0,0]=4 66 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,1,0|3,0,0]=4 67 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,1,0|3,0,0]=4 68 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,1,0|3,0,0]=4 69 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,0,0,1,0|2,0,1]=4 70 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,1|3,0,0]=4 71 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,0,0,0,1|3,0,0]=4 72 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,0,1|3,0,0]=4 73 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,0,1|2,0,0]=3 74 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,0,1|3,0,0]=4 75 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,0,1|2,0,1]=4 76 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,0,1|3,0,0]=4 77 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,0,1|3,0,0]=4 78 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,0,1|2,0,1]=4 79 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,0,1|2,0,1]=4 80 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,0,1|3,0,0]=4 81 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,0,0,0,0,1|3,0,0]=4 82 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,0,0,0,0,1|2,0,1]=4 83 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,0,1|3,0,0]=4 84 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,0,1|3,0,0]=4 85 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,0,1|3,0,0]=4 86 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,1|2,0,1]=4 87 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,0,1|3,0,0]=4 88 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,0,1|3,0,0]=4 89 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,0,1|2,0,1]=4 90 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,0,1|2,0,1]=4 91 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,0,1|3,0,0]=4 92 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,0,1|3,0,0]=4 93 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,0,0,0,0,1|2,0,1]=4 94 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,0,1|3,0,0]=4 95 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,0,1|3,0,0]=4 96 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,0,0,0,0,1|2,0,1]=4 97 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,1|2,0,0]=3 98 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,1|1,0,1]=3 99 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,1|2,0,1]=4 100 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,0,1|2,0,1]=4 101 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,0,1|2,0,1]=4 102 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100009813875_100020667443 [0,0,0,0,0,1|2,0,1]=4 103 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813875 [0,0,0,0,0,1|2,0,1]=4 104 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,0,0,0,0,1|3,0,0]=4 105 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [0,0,0,0,0,1|3,0,0]=4 106 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [0,0,0,0,0,1|3,0,0]=4 107 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [0,0,0,0,0,1|2,0,1]=4 108 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [0,0,0,0,0,1|2,0,1]=4 109 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020610796_100020667443 [0,0,0,0,0,1|1,0,2]=4 110 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020667443_100020610796 [0,0,0,0,0,1|1,0,2]=4 111 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,0,0,0,0,1|3,0,0]=4 112 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,0,0,0,0,1|2,0,1]=4 113 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [2,0,0,0,0,0|2,0,0]=4 125 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,1,0,0,0,0|1,0,1]=4 128 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [1,1,0,0,0,0|0,0,1]=3 129 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [1,1,0,0,0,0|0,0,1]=3 130 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|2,0,0]=4 133 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|2,0,0]=4 134 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,1,0,0,0,0|2,0,0]=4 140 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,1,0,0,0,0|1,0,0]=3 145 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [1,1,0,0,0,0|2,0,0]=4 148 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [1,1,0,0,0,0|2,0,0]=4 149 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [1,1,0,0,0,0|1,0,1]=4 150 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,1,0,0,0,0|2,0,0]=4 154 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|2,0,0]=4 166 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,1,0|1,0,1]=4 175 B8R0.18 CNC(C(=O)N)C(=O)N 2230a_100000025885_200000210301 [0,1,0,0,1,0|2,0,0]=4 176 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,1,0|1,0,1]=4 177 B8R0.18 [13CH3]NC(C(=O)N)C(=O)N 2230a_100000025885_200025704644 [0,1,0,0,1,0|2,0,0]=4 178 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,1,0,0,0,1|2,0,0]=4 179 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,0,1|2,0,0]=4 180 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,0,1|1,0,1]=4 181 B10R0.43 CC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000075568 [0,1,0,0,0,1|2,0,0]=4 182 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,1|2,0,0]=4 183 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,1,0,0,0,1|2,0,0]=4 184 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,1|2,0,0]=4 185 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,1,0,0,0,1|2,0,0]=4 186 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,1|2,0,0]=4 187 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,1,0,0,0,1|2,0,0]=4 188 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,1,0,0,0,1|1,0,1]=4 189 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,1,0,0,0,1|2,0,0]=4 190 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,1,0,0,0,1|2,0,0]=4 191 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,1,0,0,0,1|1,0,1]=4 192 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,1,0,0,0,1|1,0,1]=4 193 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,1|2,0,0]=4 194 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,1|2,0,0]=4 195 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,1|2,0,0]=4 196 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,1|1,0,0]=3 197 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,1,0,0,0,1|2,0,0]=4 198 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,1,0,0,0,1|2,0,0]=4 199 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,0,1|2,0,0]=4 200 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,1,0,0,0,1|1,0,1]=4 201 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,1,0,0,0,1|2,0,0]=4 202 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,1,0,0,0,1|2,0,0]=4 203 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,0,1|2,0,0]=4 204 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,0,1|2,0,0]=4 205 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,1,0,0,0,1|2,0,0]=4 206 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,1,0,0,0,1|2,0,0]=4 207 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100000747449_100009813875 [0,1,0,0,0,1|2,0,0]=4 208 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100009813875_100000747449 [0,1,0,0,0,1|2,0,0]=4 209 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100000747449_100020610796 [0,1,0,0,0,1|1,0,1]=4 210 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747449 [0,1,0,0,0,1|1,0,1]=4 211 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,1,0,0,0,1|2,0,0]=4 212 B10R0.84 C=C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016992060_100020667443 [0,1,0,0,0,1|1,0,1]=4 213 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,1|2,0,0]=4 214 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,1,0,0,0,1|2,0,0]=4 215 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,1,0,0,0,1|2,0,0]=4 216 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,1,0,0,0,1|1,0,1]=4 217 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,1|2,0,0]=4 218 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,1,0,0,0,1|2,0,0]=4 219 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,1,0,0,0,1|2,0,0]=4 220 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,1|2,0,0]=4 221 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,1|2,0,0]=4 222 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,1,0,0,0,1|2,0,0]=4 223 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,1,0,0,0,1|1,0,1]=4 224 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,1,0,0,0,1|2,0,0]=4 225 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,1,0,0,0,1|2,0,0]=4 226 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,0,1|2,0,0]=4 227 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,0,0,0,1|2,0,0]=4 228 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,0,0,0,1|2,0,0]=4 229 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,1|2,0,0]=4 230 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,1,0,0,0,1|2,0,0]=4 231 B10R0.47 COC(=O)CC(C)(C)C(=O)C 1458a_100000720384_200000210301 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.47 COC(=O)CC(C)(C)C(=O)[13CH3] 1458a_100000720384_200025704644 [0,2,0,0,0,0|2,0,0]=4 233 B10R0.141 COC(=O)C(C)(C)CC(=O)C 1458a_100000106591_200000210301 [0,2,0,0,0,0|2,0,0]=4 234 B10R0.141 COC(=O)C(C)(C)CC(=O)[13CH3] 1458a_100000106591_200025704644 [0,2,0,0,0,0|2,0,0]=4 235 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|2,0,0]=4 236 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 237 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 238 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [0,2,0,0,0,0|2,0,0]=4 240 B10R0.46 COC(=O)CN(C)C(=O)CO 240690a_100000198492_100000210174 [0,2,0,0,0,0|2,0,0]=4 241 B10R0.46 COC(=O)CN(C)C(=O)CO 527a_100000198492_100000210174 [0,2,0,0,0,0|2,0,0]=4 242 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,2,0,0,0,0|2,0,0]=4 243 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210202 [0,2,0,0,0,0|2,0,0]=4 244 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,2,0,0,0,0|2,0,0]=4 245 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,2,0,0,0,0|2,0,0]=4 246 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [1,0,0,1,0,0|1,0,0]=3 249 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|2,0,0]=4 254 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,1|2,0,0]=4 255 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,1|2,0,0]=4 256 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,1|2,0,0]=4 257 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,1|2,0,0]=4 258 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,1|2,0,0]=4 259 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,1|2,0,0]=4 260 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,1|2,0,0]=4 261 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,1|2,0,0]=4 262 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,1|2,0,0]=4 263 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,1|2,0,0]=4 264 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,1|2,0,0]=4 265 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,1|2,0,0]=4 266 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,1|2,0,0]=4 267 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,1|1,0,1]=4 268 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,1|2,0,0]=4 269 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,1|2,0,0]=4 270 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,1|2,0,0]=4 271 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,1|2,0,0]=4 272 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,1|2,0,0]=4 273 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,1|1,0,1]=4 274 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,1|1,0,1]=4 275 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,1|2,0,0]=4 276 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,1|1,0,0]=3 277 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [1,0,0,0,0,1|2,0,0]=4 278 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [1,0,0,0,0,1|1,0,1]=4 279 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [1,0,0,0,0,1|1,0,1]=4 280 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,1|1,0,1]=4 281 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,1|0,0,1]=3 282 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [1,0,0,0,0,1|0,0,2]=4 283 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,1|2,0,0]=4 284 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,1|2,0,0]=4 285 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,2|2,0,0]=4 286 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [0,0,0,0,0,2|2,0,0]=4 287 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,2|2,0,0]=4 288 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,0,0,0,0,2|2,0,0]=4 289 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,2|2,0,0]=4 290 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,2|1,0,1]=4 291 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,2|2,0,0]=4 292 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,2|2,0,0]=4 293 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,0,2|2,0,0]=4 294 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,0,2|1,0,1]=4 295 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,2|1,0,1]=4