0 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,0,0,0,0,0|4,0,0]=4 10 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,0,0,0,0,0|4,0,0]=4 11 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 2230a_100000119354_100009893438 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.7 C=C(F)CN[C@H](C)C(=O)N 34a_100000119354_100009893438 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.7 C=C(F)COC(C)C(=O)C 34a_100000212229_100009893438 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.7 C=C(F)COC(C)C(=O)N 34a_200010262243_100000702099 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.7 C=C(F)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000042424 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.7 C=C(F)CO[C@H](C)C(=O)N 34a_100000731257_100009893438 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.7 C=C(F)CO[C@H](C)C(=O)N 7a_100000731257_100000042424 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100000042424_100009814033 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100009814033_100000042424 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.7 C=C(F)CSC(C)C(=O)N 62a_100000042424_100000702099 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.7 C=C(F)CSC(C)C(=O)N 62a_100000702099_100000042424 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.7 CC(=O)C(C)OC[N+](=O)[O-] 34a_100000212229_100000761209 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,0,0|3,0,0]=3 34 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.7 CC(=O)C(C)SC[N+](=O)[O-] 62a_100009814033_100000761209 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,0,0,0,0,0|3,0,1]=4 71 B9R0.7 CC(SC[N+](=O)[O-])C(=O)N 62a_100000702099_100000761209 [0,0,0,0,0,0|3,0,1]=4 72 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,0,0|3,0,0]=3 73 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,0,0|3,0,0]=3 74 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.7 C[C@@H](NC[N+](=O)[O-])C(=O)N 34a_100000119354_100000761209 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,0,0|3,0,0]=3 81 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,0,0,0,0,0|2,0,1]=3 83 B9R0.7 C[C@@H](OC[N+](=O)[O-])C(=O)N 34a_100000731257_100000761209 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,0|2,0,0]=2 85 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,0|1,0,1]=2 86 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,0|2,0,1]=3 88 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,0,0|2,0,1]=3 90 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100009813875_100020667443 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813875 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,0,0,0,0,0|4,0,0]=4 94 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020610796_100020667443 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020667443_100020610796 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [1,0,0,0,0,0|2,0,1]=4 101 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [1,0,0,0,0,0|3,0,0]=4 102 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [1,0,0,0,0,0|3,0,0]=4 111 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [1,0,0,0,0,0|3,0,0]=4 119 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,0,0,0,0,0|2,0,1]=4 122 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,0,0,0,0,0|2,0,0]=3 123 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,0,0,0,0,0|2,0,1]=4 124 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,0,0|2,0,0]=3 125 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,0,0|2,0,0]=3 126 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,0,0,0,0,0|2,0,1]=4 127 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,0,0,0,0,0|2,0,0]=3 134 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|2,0,1]=4 141 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [1,0,0,0,0,0|2,0,0]=3 150 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|1,0,0]=2 154 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|1,0,1]=3 156 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [1,0,0,0,0,0|1,0,1]=3 157 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,0,0,0,0,0|1,0,2]=4 158 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [1,0,0,0,0,0|2,0,1]=4 161 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [1,0,0,0,0,0|2,0,1]=4 162 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [1,0,0,0,0,0|2,0,0]=3 164 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,0,0,0,0,0|2,0,1]=4 170 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,0,0,0,0,0|2,0,1]=4 171 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [1,0,0,0,0,0|1,0,2]=4 175 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,0,0,0,0,0|2,0,1]=4 176 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,0,0,0,0,0|1,0,1]=3 181 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [1,0,0,0,0,0|1,0,2]=4 185 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|3,0,0]=4 186 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,0|3,0,0]=4 187 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,0]=3 188 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|2,0,0]=3 189 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,0|3,0,0]=4 211 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [1,0,0,0,0,0|3,0,0]=4 213 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|1,0,1]=3 217 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [1,0,0,0,0,0|1,0,2]=4 218 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B10R0.13 C=C(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000748629 [0,1,0,0,0,0|3,0,0]=4 222 B10R0.13 C=C(F)CN(C)C(C)C(=O)O 269956a_100000749554_100000042424 [0,1,0,0,0,0|3,0,0]=4 223 B10R0.13 CC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100000179758 [0,1,0,0,0,0|2,0,1]=4 224 B10R0.13 CC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100009814033 [0,1,0,0,0,0|3,0,0]=4 225 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,1,0,0,0,0|2,0,0]=3 226 B10R0.13 CC(C(=O)N)C(=O)CC(=O)N 1458a_100134613110_100000702099 [0,1,0,0,0,0|2,0,1]=4 227 B10R0.13 CC(C(=O)N)N(C)CC(=O)N 2230a_100000739694_100000702099 [0,1,0,0,0,0|3,0,0]=4 228 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,0,0|2,0,0]=3 229 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,0,0|1,0,1]=3 230 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,1,0,0,0,0|2,0,1]=4 231 B10R0.13 CC(C(=O)O)N(C)C[N+](=O)[O-] 269956a_100000749554_100000761209 [0,1,0,0,0,0|2,0,1]=4 232 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,1,0,0,0,0|2,0,1]=4 233 B10R0.43 CC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000075568 [0,1,0,0,0,0|2,0,0]=3 234 B10R0.43 CC(=O)C(C)(C)OCC(=O)N 34a_100000747739_100000187820 [0,1,0,0,0,0|3,0,0]=4 235 B10R0.43 CC(=O)C(C)(C)OCC(=O)N 7a_100000747739_100000187820 [0,1,0,0,0,0|3,0,0]=4 236 B10R0.43 CC(=O)C(C)(C)OCC(=O)[O-] 34a_100000747739_100020667443 [0,1,0,0,0,0|2,0,1]=4 237 B10R0.43 CC(=O)C(C)(C)SCC(=O)N 62a_100000075568_100000747473 [0,1,0,0,0,0|3,0,0]=4 238 B10R0.43 CC(=O)C(C)(C)SCC(=O)N 62a_100000747473_100000075568 [0,1,0,0,0,0|3,0,0]=4 239 B10R0.43 CC(=O)C(C)(C)SCC(=O)[O-] 62a_100000075568_100020667443 [0,1,0,0,0,0|2,0,1]=4 240 B10R0.43 CC(=O)C(C)(C)SCC(=O)[O-] 62a_100020667443_100000075568 [0,1,0,0,0,0|2,0,1]=4 241 B10R0.43 CC(=O)COC(C)(C)C(=O)N 34a_100000211253_100000702505 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 11a_100000740840_100015343762 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 1626a_100000740840_100015343762 [0,1,0,0,0,0|3,0,0]=4 244 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 240690a_100000740840_100015343762 [0,1,0,0,0,0|3,0,0]=4 245 B10R0.43 CC(=O)NCC(C)(C)C(=O)N 527a_100000740840_100103153847 [0,1,0,0,0,0|3,0,0]=4 246 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000711301_100000702505 [0,1,0,0,0,0|3,0,0]=4 247 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 2230a_100000743658_100000747473 [0,1,0,0,0,0|3,0,0]=4 248 B10R0.43 CC(C)(NCC(=O)N)C(=O)N 34a_100000743658_100000187820 [0,1,0,0,0,0|3,0,0]=4 249 B10R0.43 CC(C)(NCC(=O)O)[N+](=O)[O-] 269956a_100016091260_200009813997 [0,1,0,0,0,0|2,0,1]=4 250 B10R0.43 CC(C)(NCC(=O)[O-])C(=O)N 34a_100000743658_100020667443 [0,1,0,0,0,0|2,0,1]=4 251 B10R0.43 CC(C)(OCC(=O)N)C(=O)N 34a_100011626353_100000187820 [0,1,0,0,0,0|3,0,0]=4 252 B10R0.43 CC(C)(OCC(=O)N)C(=O)N 7a_100011626353_100000187820 [0,1,0,0,0,0|3,0,0]=4 253 B10R0.43 CC(C)(OCC(=O)[O-])C(=O)N 34a_100011626353_100020667443 [0,1,0,0,0,0|2,0,1]=4 254 B10R0.43 CC(C)(SCC(=O)N)C(=O)N 62a_100000702505_100000747473 [0,1,0,0,0,0|3,0,0]=4 255 B10R0.43 CC(C)(SCC(=O)N)C(=O)N 62a_100000747473_100000702505 [0,1,0,0,0,0|3,0,0]=4 256 B10R0.43 CC(C)(SCC(=O)[O-])C(=O)N 62a_100000702505_100020667443 [0,1,0,0,0,0|2,0,1]=4 257 B10R0.43 CC(C)(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702505 [0,1,0,0,0,0|2,0,1]=4 258 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100000210245_100000211248 [0,1,0,0,0,0|3,0,0]=4 259 B10R0.57 C=C(C)COC(C)C(=O)OC 34a_100011215400_100000748629 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000211248_100000211660 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.57 C=C(C)CSC(C)C(=O)OC 62a_100000748629_100000211248 [0,1,0,0,0,0|3,0,0]=4 262 B10R0.57 C=C(F)COC(C)C(=O)OC 34a_100011215400_100009893438 [0,1,0,0,0,0|3,0,0]=4 263 B10R0.57 C=C(F)COC(C)C(=O)OC 34a_200010262243_100000211248 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.57 C=C(F)CSC(C)C(=O)OC 62a_100000042424_100000211248 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.57 C=C(F)CSC(C)C(=O)OC 62a_100000211248_100000042424 [0,1,0,0,0,0|3,0,0]=4 266 B10R0.57 C=CC(=O)N(C)CCC(=O)N 240690a_100000730477_200121576911 [0,1,0,0,0,0|3,0,0]=4 267 B10R0.57 CC(=O)SC[C@@H](C)C(=O)CF 1458a_200015407212_100015361967 [0,1,0,0,0,0|3,0,0]=4 268 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,1,0,0,0,0|2,0,1]=4 269 B10R0.57 CC(OCC(=O)N)C(=O)NN 34a_100000725659_100000187820 [0,1,0,0,0,0|3,0,0]=4 270 B10R0.57 CC(OCC(=O)[O-])C(=O)NN 34a_100000725659_100020667443 [0,1,0,0,0,0|2,0,1]=4 271 B10R0.57 CCC(=O)C(C)NCC(=O)N 2230a_100000711301_100000742827 [0,1,0,0,0,0|3,0,0]=4 272 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,0|2,0,0]=3 273 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000742827_100000747473 [0,1,0,0,0,0|3,0,0]=4 274 B10R0.57 CCC(=O)C(C)SCC(=O)N 62a_100000747473_100000742827 [0,1,0,0,0,0|3,0,0]=4 275 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100000742827_100020667443 [0,1,0,0,0,0|2,0,1]=4 276 B10R0.57 CCC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000742827 [0,1,0,0,0,0|2,0,1]=4 277 B10R0.57 CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 278 B10R0.57 CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 279 B10R0.57 CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210414 [0,1,0,0,0,0|3,0,0]=4 280 B10R0.57 CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210202 [0,1,0,0,0,0|3,0,0]=4 281 B10R0.57 CN(CCC(=O)N)C(=O)CO 240690a_100000730477_100000210174 [0,1,0,0,0,0|2,0,0]=3 282 B10R0.57 CN(CCC(=O)N)C(=O)CO 527a_100000730477_100000210174 [0,1,0,0,0,0|2,0,0]=3 283 B10R0.57 CNC(=O)C(C)CNC(=O)C 11a_100015187722_100015343762 [0,1,0,0,0,0|3,0,0]=4 284 B10R0.57 CNC(=O)C(C)CNC(=O)C 240690a_100015187722_100015343762 [0,1,0,0,0,0|3,0,0]=4 285 B10R0.57 CNC(=O)C(C)CNC(=O)C 527a_100015187722_100103153847 [0,1,0,0,0,0|3,0,0]=4 286 B10R0.57 CNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000731044 [0,1,0,0,0,0|3,0,0]=4 287 B10R0.57 CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000209862 [0,1,0,0,0,0|2,0,0]=3 288 B10R0.57 CNC(=O)C(C)OCC(=O)C 34a_100000211253_100000731044 [0,1,0,0,0,0|3,0,0]=4 289 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000209862_100000747473 [0,1,0,0,0,0|3,0,0]=4 290 B10R0.57 CNC(=O)C(C)SCC(=O)N 62a_100000747473_100000731044 [0,1,0,0,0,0|3,0,0]=4 291 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100000209862_100020667443 [0,1,0,0,0,0|2,0,1]=4 292 B10R0.57 CNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000731044 [0,1,0,0,0,0|2,0,1]=4 293 B10R0.57 CNC(=O)N(C)CCC(=O)N 2708a_100102657272_100000730477 [0,1,0,0,0,0|3,0,0]=4 294 B10R0.57 CNC(=O)N(C)CCC(=O)N 273464a_100102657272_100000730477 [0,1,0,0,0,0|3,0,0]=4 295 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 2230a_100000684985_100000747473 [0,1,0,0,0,0|3,0,0]=4 296 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)N 34a_100000684985_100000187820 [0,1,0,0,0,0|3,0,0]=4 297 B10R0.57 CNC(=O)[C@@H](C)NCC(=O)[O-] 34a_100000684985_100020667443 [0,1,0,0,0,0|2,0,1]=4 298 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 11a_106832991635_200015407212 [0,1,0,0,0,0|3,0,0]=4 299 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 1626a_100102657272_200015407212 [0,1,0,0,0,0|3,0,0]=4 300 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 240690a_100102657272_200015407212 [0,1,0,0,0,0|3,0,0]=4 301 B10R0.57 CNC(=O)[C@H](C)CSC(=O)C 527a_100102657272_200015407212 [0,1,0,0,0,0|3,0,0]=4 302 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,1,0,0,0,0|1,0,0]=2 303 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 304 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,1,0,0,0,0|3,0,0]=4 305 B10R0.57 COC(=O)C(C)NCC(=O)N 2230a_100000711301_100000211248 [0,1,0,0,0,0|2,0,0]=3 306 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,1,0,0,0,0|2,0,1]=4 307 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,1,0,0,0,0|2,0,1]=4 308 B10R0.57 COC(=O)C(C)OCC(=O)C 34a_100000211253_100000211248 [0,1,0,0,0,0|2,0,0]=3 309 B10R0.57 COC(=O)C(C)OCC(=O)N 34a_100011215400_100000187820 [0,1,0,0,0,0|2,0,0]=3 310 B10R0.57 COC(=O)C(C)OCC(=O)[O-] 34a_100011215400_100020667443 [0,1,0,0,0,0|1,0,1]=3 311 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,1,0,0,0,0|2,0,1]=4 312 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,1,0,0,0,0|2,0,1]=4 313 B10R0.57 COC(=O)C(C)OC[N+](=O)[O-] 34a_100011215400_100000761209 [0,1,0,0,0,0|2,0,1]=4 314 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000211248_100000747473 [0,1,0,0,0,0|2,0,0]=3 315 B10R0.57 COC(=O)C(C)SCC(=O)N 62a_100000747473_100000211248 [0,1,0,0,0,0|2,0,0]=3 316 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100000211248_100020667443 [0,1,0,0,0,0|1,0,1]=3 317 B10R0.57 COC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000211248 [0,1,0,0,0,0|1,0,1]=3 318 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,1,0,0,0,0|2,0,1]=4 319 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,1,0,0,0,0|2,0,1]=4 320 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,1,0,0,0,0|2,0,1]=4 321 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,1,0,0,0,0|2,0,1]=4 322 B10R0.57 COC(=O)C(C)SC[N+](=O)[O-] 62a_100000211248_100000761209 [0,1,0,0,0,0|2,0,1]=4 323 B10R0.57 COC(=O)C(O)CNC(=O)C 188690a_100000695228_100015343762 [0,1,0,0,0,0|3,0,0]=4 324 B10R0.82 C=C(C#N)CN[C@@H](C)C(=O)O 269956a_100000743915_100000694840 [0,1,0,0,0,0|3,0,0]=4 325 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,1,0,0,0,0|2,0,1]=4 326 B10R0.82 CC(=O)N(C)CCC(=O)CF 1458a_100011216537_100015361967 [0,1,0,0,0,0|3,0,0]=4 327 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,0|2,0,1]=4 328 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,1,0,0,0,0|3,0,0]=4 329 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,0|2,0,0]=3 330 B10R0.82 CCC(=O)COC(C)C(=O)N 34a_100000725409_100000702099 [0,1,0,0,0,0|3,0,0]=4 331 B10R0.82 CCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747405 [0,1,0,0,0,0|2,0,1]=4 332 B10R0.82 CCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747405 [0,1,0,0,0,0|3,0,0]=4 333 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,1,0,0,0,0|3,0,0]=4 334 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,1,0,0,0,0|3,0,0]=4 335 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000702099_100000747405 [0,1,0,0,0,0|3,0,0]=4 336 B10R0.82 CCC(=O)CSC(C)C(=O)N 62a_100000747405_100000702099 [0,1,0,0,0,0|3,0,0]=4 337 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_100000750875_100015343762 [0,1,0,0,0,0|3,0,0]=4 339 B10R0.82 CNC(=O)CCN(C)C(=O)C 11a_106832991635_100011216537 [0,1,0,0,0,0|3,0,0]=4 340 B10R0.82 CNC(=O)CCN(C)C(=O)C 1626a_100102657272_100011216537 [0,1,0,0,0,0|3,0,0]=4 341 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100000750875_100015343762 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.82 CNC(=O)CCN(C)C(=O)C 240690a_100102657272_100011216537 [0,1,0,0,0,0|3,0,0]=4 343 B10R0.82 CNC(=O)CCN(C)C(=O)C 527a_100000750875_100103153847 [0,1,0,0,0,0|3,0,0]=4 344 B10R0.82 CNC(=O)CNC(C)C(=O)C 2230a_100000693194_100009814033 [0,1,0,0,0,0|3,0,0]=4 345 B10R0.82 CNC(=O)CNC(C)C(=O)N 2230a_100000693194_100000702099 [0,1,0,0,0,0|3,0,0]=4 346 B10R0.82 CNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183359 [0,1,0,0,0,0|2,0,0]=3 347 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000183359 [0,1,0,0,0,0|3,0,0]=4 348 B10R0.82 CNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000183359 [0,1,0,0,0,0|3,0,0]=4 349 B10R0.82 CNC(=O)COC(C)C(=O)C 34a_100000212229_100000183359 [0,1,0,0,0,0|3,0,0]=4 350 B10R0.82 CNC(=O)COC(C)C(=O)N 34a_100000750040_100000702099 [0,1,0,0,0,0|3,0,0]=4 351 B10R0.82 CNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000183359 [0,1,0,0,0,0|2,0,1]=4 352 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000183359 [0,1,0,0,0,0|3,0,0]=4 353 B10R0.82 CNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000183359 [0,1,0,0,0,0|3,0,0]=4 354 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100000183359_100009814033 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.82 CNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183359 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000183359_100000702099 [0,1,0,0,0,0|3,0,0]=4 357 B10R0.82 CNC(=O)CSC(C)C(=O)N 62a_100000702099_100000183359 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.82 COC(=O)CCN(C)C(=O)C 11a_100025711912_100015343762 [0,1,0,0,0,0|2,0,0]=3 359 B10R0.82 COC(=O)CCN(C)C(=O)C 1626a_100025711912_100015343762 [0,1,0,0,0,0|2,0,0]=3 360 B10R0.82 COC(=O)CCN(C)C(=O)C 240690a_100025711912_100015343762 [0,1,0,0,0,0|2,0,0]=3 361 B10R0.82 COC(=O)CCN(C)C(=O)C 527a_100025711912_100103153847 [0,1,0,0,0,0|2,0,0]=3 362 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,0|1,0,0]=2 363 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000747449 [0,1,0,0,0,0|2,0,0]=3 364 B10R0.82 COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000747449 [0,1,0,0,0,0|2,0,0]=3 365 B10R0.82 COC(=O)COC(C)C(=O)C 34a_100000212229_100000747449 [0,1,0,0,0,0|2,0,0]=3 366 B10R0.82 COC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000747449 [0,1,0,0,0,0|1,0,1]=3 367 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000747449 [0,1,0,0,0,0|2,0,0]=3 368 B10R0.82 COC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000747449 [0,1,0,0,0,0|2,0,0]=3 369 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100000747449_100009814033 [0,1,0,0,0,0|2,0,0]=3 370 B10R0.82 COC(=O)CSC(C)C(=O)C 62a_100009814033_100000747449 [0,1,0,0,0,0|2,0,0]=3 371 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000702099_100000747449 [0,1,0,0,0,0|2,0,0]=3 372 B10R0.82 COC(=O)CSC(C)C(=O)N 62a_100000747449_100000702099 [0,1,0,0,0,0|2,0,0]=3 373 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100000747449_100009813875 [0,1,0,0,0,0|3,0,0]=4 374 B10R0.82 COC(=O)CSC(F)C(=O)N 62a_100009813875_100000747449 [0,1,0,0,0,0|3,0,0]=4 375 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100000747449_100020610796 [0,1,0,0,0,0|2,0,1]=4 376 B10R0.82 COC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747449 [0,1,0,0,0,0|2,0,1]=4 377 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,0|2,0,1]=4 379 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,0|1,0,2]=4 380 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,0|2,0,1]=4 381 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,0|1,0,2]=4 382 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.84 C=C(F)CNC(CO)C(=O)O 269956a_100000187304_100000042424 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,1,0,0,0,0|2,0,1]=4 387 B10R0.84 C=C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016992060_100020667443 [0,1,0,0,0,0|1,0,2]=4 388 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,1,0,0,0,0|2,0,1]=4 389 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,1,0,0,0,0|2,0,1]=4 390 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,1,0,0,0,0|3,0,0]=4 391 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,1,0,0,0,0|3,0,0]=4 392 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,1,0,0,0,0|3,0,0]=4 393 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,1,0,0,0,0|2,0,0]=3 394 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,1,0,0,0,0|2,0,1]=4 395 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,1,0,0,0,0|3,0,0]=4 396 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100000750255_100020667443 [0,1,0,0,0,0|2,0,1]=4 399 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000750255 [0,1,0,0,0,0|2,0,1]=4 400 B10R0.84 CCN(CCC(=O)N)C(=O)C 11a_100020645749_100015343762 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.84 CCN(CCC(=O)N)C(=O)C 1626a_100020645749_100015343762 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.84 CCN(CCC(=O)N)C(=O)C 240690a_100020645749_100015343762 [0,1,0,0,0,0|3,0,0]=4 403 B10R0.84 CCN(CCC(=O)N)C(=O)C 527a_100020645749_100103153847 [0,1,0,0,0,0|3,0,0]=4 404 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,1,0,0,0,0|2,0,0]=3 405 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,1,0,0,0,0|1,0,1]=3 406 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,1,0,0,0,0|2,0,1]=4 407 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,1,0,0,0,0|2,0,1]=4 408 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [0,1,0,0,0,0|2,0,1]=4 409 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,1,0,0,0,0|2,0,1]=4 410 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,1,0,0,0,0|3,0,0]=4 411 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,1,0,0,0,0|2,0,0]=3 412 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,1,0,0,0,0|2,0,0]=3 415 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,1,0,0,0,0|2,0,1]=4 416 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,1,0,0,0,0|3,0,0]=4 417 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,1,0,0,0,0|2,0,0]=3 418 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747473 [0,1,0,0,0,0|3,0,0]=4 419 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,0|3,0,0]=4 420 B10R0.84 NC(=O)[C@H](CO)NCC(=O)[O-] 34a_100000729942_100020667443 [0,1,0,0,0,0|2,0,1]=4 421 B10R0.84 O=C(O)C(CO)NC[N+](=O)[O-] 269956a_100000187304_100000761209 [0,1,0,0,0,0|2,0,1]=4 422 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,1,0,0,0,0|1,0,1]=3 423 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,1,0,0,0,0|2,0,0]=3 424 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,1,0,0,0,0|2,0,1]=4 426 B10R0.92 C[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000743915_100000741382 [0,1,0,0,0,0|2,0,1]=4 427 B10R0.92 C[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100009817235 [0,1,0,0,0,0|2,0,1]=4 428 B10R0.93 CC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009814033 [0,1,0,0,0,0|2,0,0]=3 429 B10R0.93 CC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100009814033 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.93 CC(=O)C(C)OC(C)C(=O)N 34a_100000212229_100000702099 [0,1,0,0,0,0|3,0,0]=4 431 B10R0.93 CC(=O)C(C)OC(F)C(=O)N 34a_100000212229_100009813875 [0,1,0,0,0,0|3,0,0]=4 432 B10R0.93 CC(=O)C(C)OC(F)C(=O)[O-] 34a_100000212229_100020610796 [0,1,0,0,0,0|2,0,1]=4 433 B10R0.93 CC(=O)C(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000179758 [0,1,0,0,0,0|2,0,1]=4 434 B10R0.93 CC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000179758 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.93 CC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100009814033 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100009814033 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.93 CC(=O)C(C)SC(C)C(=O)N 62a_100009814033_100000702099 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.93 CC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100009814033 [0,1,0,0,0,0|3,0,0]=4 439 B10R0.93 CC(=O)C(C)SC(F)C(=O)N 62a_100009814033_100009813875 [0,1,0,0,0,0|3,0,0]=4 440 B10R0.93 CC(=O)C(C)SC(F)C(=O)[O-] 62a_100009814033_100020610796 [0,1,0,0,0,0|2,0,1]=4 441 B10R0.93 CC(=O)C(C)SC(F)C(=O)[O-] 62a_100020610796_100009814033 [0,1,0,0,0,0|2,0,1]=4 442 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 2230a_100000119354_100000702099 [0,1,0,0,0,0|3,0,0]=4 443 B10R0.93 CC(N[C@H](C)C(=O)N)C(=O)N 34a_100000119354_100000702099 [0,1,0,0,0,0|3,0,0]=4 444 B10R0.93 CC(O[C@@H](C)C(=O)[O-])C(=O)N 7a_217856618621_100000702099 [0,1,0,0,0,0|2,0,1]=4 445 B10R0.93 CC(O[C@H](C)C(=O)N)C(=O)N 34a_100000731257_100000702099 [0,1,0,0,0,0|3,0,0]=4 446 B10R0.93 CC(O[C@H](C)C(=O)N)C(=O)N 7a_100000731257_100000702099 [0,1,0,0,0,0|3,0,0]=4 447 B10R0.93 CC(SC(C)C(=O)N)C(=O)N 62a_100000702099_100000702099 [0,1,0,0,0,0|3,0,0]=4 448 B10R0.93 CC(SC(F)C(=O)N)C(=O)N 62a_100000702099_100009813875 [0,1,0,0,0,0|3,0,0]=4 449 B10R0.93 CC(SC(F)C(=O)N)C(=O)N 62a_100009813875_100000702099 [0,1,0,0,0,0|3,0,0]=4 450 B10R0.93 CC(SC(F)C(=O)[O-])C(=O)N 62a_100000702099_100020610796 [0,1,0,0,0,0|2,0,1]=4 451 B10R0.93 CC(SC(F)C(=O)[O-])C(=O)N 62a_100020610796_100000702099 [0,1,0,0,0,0|2,0,1]=4 452 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 2230a_100000119354_100009813875 [0,1,0,0,0,0|3,0,0]=4 453 B10R0.93 C[C@@H](NC(F)C(=O)N)C(=O)N 34a_100000119354_100009813875 [0,1,0,0,0,0|3,0,0]=4 454 B10R0.93 C[C@@H](NC(F)C(=O)[O-])C(=O)N 34a_100000119354_100020610796 [0,1,0,0,0,0|2,0,1]=4 455 B10R0.93 C[C@@H](OC(F)C(=O)N)C(=O)N 34a_100000731257_100009813875 [0,1,0,0,0,0|3,0,0]=4 456 B10R0.93 C[C@@H](OC(F)C(=O)N)C(=O)N 7a_100000731257_100009813875 [0,1,0,0,0,0|3,0,0]=4 457 B10R0.93 C[C@@H](OC(F)C(=O)[O-])C(=O)N 34a_100000731257_100020610796 [0,1,0,0,0,0|2,0,1]=4 458 B10R0.93 C[C@H](OC(F)C(=O)N)C(=O)[O-] 7a_217856618621_100009813875 [0,1,0,0,0,0|2,0,1]=4 459 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,0,0,1,0,0|3,0,0]=4 460 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,0,0,1,0,0|3,0,0]=4 461 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,0,0,1,0,0|3,0,0]=4 462 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,0,0,1,0,0|2,0,0]=3 463 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,0,0,1,0,0|2,0,1]=4 464 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,0,0,1,0,0|3,0,0]=4 465 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,0|3,0,0]=4 466 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,0,0,1,0,0|2,0,0]=3 467 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,0,0,1,0,0|2,0,1]=4 468 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,0|3,0,0]=4 469 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,0,0,1,0,0|3,0,0]=4 470 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,0,0,1,0,0|3,0,0]=4 471 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|2,0,0]=3 472 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,0,0|3,0,0]=4 473 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [0,0,0,1,0,0|3,0,0]=4 474 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [0,0,0,1,0,0|3,0,0]=4 475 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,0|2,0,0]=3 476 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [0,0,0,1,0,0|2,0,1]=4 477 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [0,0,0,1,0,0|2,0,1]=4 478 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,0|2,0,1]=4 479 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,0|2,0,1]=4 480 B10R1.349 CC(=O)C1CN(C1)C(=O)C 1458a_100000754717_200000210301 [0,0,0,1,0,0|3,0,0]=4 481 B10R1.349 CC(=O)N1CC(C1)C(=O)N 240690a_100025753142_100015343762 [0,0,0,1,0,0|3,0,0]=4 482 B10R1.349 CC(=O)N1CC(C1)C(=O)N 527a_100025753142_100103153847 [0,0,0,1,0,0|3,0,0]=4 483 B10R1.349 CC(=O)N1CC(C1)C(=O)[13CH3] 1458a_100000754717_200025704644 [0,0,0,1,0,0|3,0,0]=4 484 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200000210301 [0,0,0,1,0,0|2,0,1]=4 485 B10R1.359 [13CH3]C(=O)C1CCS(=O)(=O)C1 1458a_100000209820_200025704644 [0,0,0,1,0,0|2,0,1]=4 486 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,0,0,1,0|3,0,0]=4 487 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,0,0,1,0|3,0,0]=4 488 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,1,0|3,0,0]=4 489 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,1,0|3,0,0]=4 490 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,0,0,1,0|3,0,0]=4 491 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,0,0,1,0|3,0,0]=4 492 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,0,0,1,0|3,0,0]=4 493 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,0,0,1,0|3,0,0]=4 494 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,0,0,1,0|3,0,0]=4 495 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,0,0,1,0|3,0,0]=4 496 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,0,0,1,0|3,0,0]=4 497 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,0,0,1,0|3,0,0]=4 498 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,0,0,1,0|3,0,0]=4 499 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,0,0,1,0|3,0,0]=4 500 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,0,0,0,0,1|3,0,0]=4 501 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,0,1|3,0,0]=4 502 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,1|2,0,0]=3 503 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,1|2,0,0]=3 504 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,0,0,0,0,1|3,0,0]=4 505 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,0,0,0,0,1|3,0,0]=4 506 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100009818208_100020667443 [0,0,0,0,0,1|2,0,1]=4 507 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100020667443_100009818208 [0,0,0,0,0,1|2,0,1]=4 508 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,0,1|3,0,0]=4 509 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,0,0,0,0,1|2,0,1]=4 510 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [0,0,0,0,0,1|3,0,0]=4 511 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [0,0,0,0,0,1|3,0,0]=4 512 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,0,1|2,0,0]=3 513 B10R0.98 C=C(Br)CCOC(C)C(=O)N 34a_100009813270_100000702099 [0,0,0,0,0,1|3,0,0]=4 514 B10R0.98 C=C(C)C(C)NCCC(=O)N 269862a_100000740010_100011216138 [0,0,0,0,0,1|3,0,0]=4 515 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,0,1|2,0,0]=3 516 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000730704 [0,0,0,0,0,1|3,0,0]=4 517 B10R0.98 C=C(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000730704 [0,0,0,0,0,1|3,0,0]=4 518 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,0,0,0,0,1|3,0,0]=4 519 B10R0.98 C=C(C)CCOC(C)C(=O)N 34a_100000764851_100000702099 [0,0,0,0,0,1|3,0,0]=4 520 B10R0.98 C=C(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730704 [0,0,0,0,0,1|2,0,1]=4 521 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000730704 [0,0,0,0,0,1|3,0,0]=4 522 B10R0.98 C=C(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000730704 [0,0,0,0,0,1|3,0,0]=4 523 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,0,0,0,0,1|3,0,0]=4 524 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,0,0,0,0,1|3,0,0]=4 525 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000702099_100000730704 [0,0,0,0,0,1|3,0,0]=4 526 B10R0.98 C=C(C)CCSC(C)C(=O)N 62a_100000730704_100000702099 [0,0,0,0,0,1|3,0,0]=4 527 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,0,1|2,0,0]=3 528 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,0,0,0,0,1|3,0,0]=4 529 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,0,0,0,0,1|3,0,0]=4 530 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,0,0,0,0,1|3,0,0]=4 531 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,0,0,0,0,1|2,0,0]=3 532 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,0,0,0,0,1|3,0,0]=4 533 B10R0.98 C=C(F)COCC(C)C(=O)C 34a_100000032740_100009893438 [0,0,0,0,0,1|3,0,0]=4 534 B10R0.98 C=C(F)COCC(C)C(=O)C 7a_100000032740_100000042424 [0,0,0,0,0,1|3,0,0]=4 535 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,0,1|2,0,1]=4 536 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,0,0,0,0,1|2,0,1]=4 537 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [0,0,0,0,0,1|2,0,0]=3 538 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [0,0,0,0,0,1|2,0,0]=3 539 B10R0.98 CC(=O)C(C)COCC(=O)[O-] 34a_100000032740_100020667443 [0,0,0,0,0,1|1,0,1]=3 540 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,0,0,0,0,1|2,0,1]=4 541 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,0,0,0,0,1|2,0,1]=4 542 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,0,0,0,0,1|2,0,1]=4 543 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,0,0,0,0,1|2,0,1]=4 544 B10R0.98 CC(=O)C(C)COC[N+](=O)[O-] 34a_100000032740_100000761209 [0,0,0,0,0,1|2,0,1]=4 545 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,0,0,0,0,1|2,0,1]=4 546 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [0,0,0,0,0,1|2,0,0]=3 547 B10R0.98 CC(=O)C(C)OCCC(=O)N 34a_100000212229_100000731001 [0,0,0,0,0,1|2,0,0]=3 548 B10R0.98 CC(=O)C(C)OCCC(=O)N 7a_100000757172_100000179758 [0,0,0,0,0,1|2,0,0]=3 549 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,0,0,0,0,1|2,0,1]=4 550 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [0,0,0,0,0,1|2,0,0]=3 551 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [0,0,0,0,0,1|2,0,0]=3 552 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,0,0,0,0,1|2,0,1]=4 553 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,0,0,0,0,1|2,0,1]=4 554 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,0,1|1,0,0]=2 555 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,0,0,0,0,1|2,0,0]=3 556 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,0,0,0,0,1|2,0,0]=3 557 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,0,0,0,0,1|2,0,0]=3 558 B10R0.98 CC(=O)CCOC(F)C(=O)N 34a_100000759926_100009813875 [0,0,0,0,0,1|3,0,0]=4 559 B10R0.98 CC(=O)CCOC(F)C(=O)N 7a_100000759926_100009813875 [0,0,0,0,0,1|3,0,0]=4 560 B10R0.98 CC(=O)CCOC(F)C(=O)[O-] 34a_100000759926_100020610796 [0,0,0,0,0,1|2,0,1]=4 561 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,0,0,0,0,1|1,0,1]=3 562 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,0,0,0,0,1|2,0,0]=3 563 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,0,0,0,0,1|2,0,0]=3 564 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,0,0,0,0,1|2,0,0]=3 565 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,0,0,0,0,1|2,0,0]=3 566 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,0,0,0,0,1|2,0,0]=3 567 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100000053229_100009813875 [0,0,0,0,0,1|3,0,0]=4 568 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100009813875_100000053229 [0,0,0,0,0,1|3,0,0]=4 569 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100000053229_100020610796 [0,0,0,0,0,1|2,0,1]=4 570 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000053229 [0,0,0,0,0,1|2,0,1]=4 571 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,0,0,0,0,1|2,0,0]=3 572 B10R0.98 CC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100009813279 [0,0,0,0,0,1|3,0,0]=4 573 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [0,0,0,0,0,1|3,0,0]=4 574 B10R0.98 CC(=O)OCO[C@H](C)C(=O)N 34a_100000731257_100009813279 [0,0,0,0,0,1|3,0,0]=4 575 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,0,0,0,0,1|3,0,0]=4 576 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,0,0,0,0,1|3,0,0]=4 577 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000076356_100000702099 [0,0,0,0,0,1|3,0,0]=4 578 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000702099_100000076356 [0,0,0,0,0,1|3,0,0]=4 579 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,0,1|2,0,1]=4 580 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,0,1|2,0,1]=4 581 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,0,0,0,0,1|1,0,0]=2 582 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,0,0,0,0,1|0,0,1]=2 583 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,0,0,0,0,1|2,0,1]=4 584 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,0,0,0,0,1|1,0,1]=3 585 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,0,0,0,0,1|1,0,1]=3 586 B10R0.98 CC(COCC(=O)N)[N+](=O)[O-] 34a_100000039676_100000187820 [0,0,0,0,0,1|2,0,1]=4 587 B10R0.98 CC(COCC(=O)N)[N+](=O)[O-] 7a_100000039676_100000187820 [0,0,0,0,0,1|2,0,1]=4 588 B10R0.98 CC(COCC(=O)[O-])[N+](=O)[O-] 34a_100000039676_100020667443 [0,0,0,0,0,1|1,0,2]=4 589 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,0,0,0,0,1|2,0,1]=4 590 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,0,0,0,0,1|1,0,1]=3 591 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,0,0,0,0,1|2,0,1]=4 592 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,0,0,0,0,1|2,0,1]=4 593 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,0,0,0,0,1|1,0,2]=4 594 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,0,0,0,0,1|2,0,1]=4 595 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,0,0,0,0,1|2,0,1]=4 596 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,0,0,0,0,1|2,0,1]=4 597 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,0,0,0,0,1|2,0,1]=4 598 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,0,0,0,0,1|1,0,1]=3 599 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,0,0,0,0,1|2,0,1]=4 600 B10R0.98 CC(OCCC(=O)N)C(=O)N 34a_100000757172_100000702099 [0,0,0,0,0,1|2,0,0]=3 601 B10R0.98 CC(OCCC(=O)N)C(=O)N 7a_100000757172_100000702099 [0,0,0,0,0,1|2,0,0]=3 602 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [0,0,0,0,0,1|2,0,0]=3 603 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [0,0,0,0,0,1|2,0,0]=3 604 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,0,0,0,0,1|2,0,0]=3 605 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,0,0,0,0,1|2,0,0]=3 606 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,0,0,0,0,1|2,0,1]=4 607 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 34a_100000731257_100000731001 [0,0,0,0,0,1|2,0,0]=3 608 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 7a_100000731257_100000744528 [0,0,0,0,0,1|2,0,0]=3 609 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,0,0,0,0,1|1,0,0]=2 610 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,0,1|3,0,0]=4 611 B10R0.98 C[C@H](OCCC(=O)N)C(=O)[O-] 7a_217856618621_100000744528 [0,0,0,0,0,1|1,0,1]=3 612 B10R0.98 NC(=O)CCOC(F)C(=O)N 34a_100000757172_100009813875 [0,0,0,0,0,1|3,0,0]=4 613 B10R0.98 NC(=O)CCOC(F)C(=O)N 7a_100000757172_100009813875 [0,0,0,0,0,1|3,0,0]=4 614 B10R0.98 NC(=O)CCOC(F)C(=O)[O-] 34a_100000757172_100020610796 [0,0,0,0,0,1|2,0,1]=4 615 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100000744528_100009813875 [0,0,0,0,0,1|3,0,0]=4 616 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100009813875_100000744528 [0,0,0,0,0,1|3,0,0]=4 617 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100000744528_100020610796 [0,0,0,0,0,1|2,0,1]=4 618 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000744528 [0,0,0,0,0,1|2,0,1]=4 619 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,0,0,0,0,1|2,0,0]=3 620 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,0,1|3,0,0]=4 621 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,0,1|2,0,1]=4 622 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,0,0,0,0,1|2,0,1]=4 623 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,0,0,0,0,1|1,0,1]=3 624 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [2,0,0,0,0,0|2,0,0]=4 625 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [2,0,0,0,0,0|2,0,0]=4 626 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [2,0,0,0,0,0|1,0,1]=4 627 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [2,0,0,0,0,0|1,0,1]=4 628 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [2,0,0,0,0,0|1,0,1]=4 629 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [2,0,0,0,0,0|1,0,1]=4 630 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|2,0,0]=4 631 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|2,0,0]=4 632 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|2,0,0]=4 633 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 634 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 635 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 636 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 637 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 638 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|2,0,0]=4 639 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|2,0,0]=4 640 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,1]=4 641 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 642 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 643 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 644 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 645 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [2,0,0,0,0,0|1,0,1]=4 646 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [2,0,0,0,0,0|1,0,1]=4 647 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|1,0,0]=3 648 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [2,0,0,0,0,0|2,0,0]=4 649 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [2,0,0,0,0,0|2,0,0]=4 650 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,1]=4 651 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,1]=4 652 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,1]=4 653 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,1]=4 654 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,1]=4 655 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,1]=4 656 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|2,0,0]=4 657 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [2,0,0,0,0,0|1,0,1]=4 658 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [2,0,0,0,0,0|1,0,1]=4 659 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [2,0,0,0,0,0|1,0,1]=4 660 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [2,0,0,0,0,0|1,0,1]=4 661 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [2,0,0,0,0,0|1,0,1]=4 662 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [2,0,0,0,0,0|1,0,1]=4 663 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [2,0,0,0,0,0|1,0,0]=3 664 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [2,0,0,0,0,0|2,0,0]=4 665 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [2,0,0,0,0,0|2,0,0]=4 666 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [2,0,0,0,0,0|2,0,0]=4 667 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [2,0,0,0,0,0|1,0,1]=4 668 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [2,0,0,0,0,0|1,0,1]=4 669 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [2,0,0,0,0,0|1,0,1]=4 670 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [1,1,0,0,0,0|1,0,0]=3 672 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [1,1,0,0,0,0|1,0,1]=4 673 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [1,1,0,0,0,0|1,0,1]=4 674 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [1,1,0,0,0,0|1,0,1]=4 675 B9R0.8 C=CCCN(C)C(=O)CO 240690a_100020639649_100000210174 [1,1,0,0,0,0|2,0,0]=4 676 B9R0.8 C=CCCN(C)C(=O)CO 527a_100020639649_100000210174 [1,1,0,0,0,0|2,0,0]=4 677 B9R0.8 C=CCNC(C)C(=O)OC 2230a_100020586998_100000211248 [1,1,0,0,0,0|2,0,0]=4 678 B9R0.8 C=CCOC(C)C(=O)OC 34a_100011215400_100015514636 [1,1,0,0,0,0|2,0,0]=4 679 B9R0.8 C=CCOC(C)C(=O)OC 34a_200000210373_100000211248 [1,1,0,0,0,0|2,0,0]=4 680 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000210623_100000211248 [1,1,0,0,0,0|2,0,0]=4 681 B9R0.8 C=CCSC(C)C(=O)OC 62a_100000211248_100000210623 [1,1,0,0,0,0|2,0,0]=4 682 B9R0.8 CC(OCC=O)C(=O)NN 34a_100000725659_200009817547 [1,1,0,0,0,0|2,0,0]=4 683 B9R0.8 CCC(=O)C(C)SCC=O 62a_100000742827_200015260668 [1,1,0,0,0,0|2,0,0]=4 684 B9R0.8 CCC(=O)C(C)SCC=O 62a_200015260668_100000742827 [1,1,0,0,0,0|2,0,0]=4 685 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|1,0,1]=4 686 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [1,1,0,0,0,0|1,0,1]=4 687 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [1,1,0,0,0,0|1,0,1]=4 688 B9R0.8 CNC(=O)C(C)SCC=O 62a_100000209862_200015260668 [1,1,0,0,0,0|2,0,0]=4 689 B9R0.8 CNC(=O)C(C)SCC=O 62a_200015260668_100000731044 [1,1,0,0,0,0|2,0,0]=4 690 B9R0.8 CNC(=O)[C@@H](C)NCC=O 2230a_100000684985_200015260668 [1,1,0,0,0,0|2,0,0]=4 691 B9R0.8 CNC(=O)[C@@H](C)NCC=O 34a_100000684985_200009817547 [1,1,0,0,0,0|2,0,0]=4 692 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 693 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [1,1,0,0,0,0|2,0,0]=4 694 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 695 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [1,1,0,0,0,0|2,0,0]=4 696 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [1,1,0,0,0,0|2,0,0]=4 697 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [1,1,0,0,0,0|2,0,0]=4 698 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [1,1,0,0,0,0|2,0,0]=4 699 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [1,1,0,0,0,0|1,0,1]=4 700 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [1,1,0,0,0,0|1,0,1]=4 701 B9R0.8 COC(=O)C(C)OCC=O 34a_100011215400_200009817547 [1,1,0,0,0,0|1,0,0]=3 702 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [1,1,0,0,0,0|1,0,1]=4 703 B9R0.8 COC(=O)C(C)SCC=O 62a_100000211248_200015260668 [1,1,0,0,0,0|1,0,0]=3 704 B9R0.8 COC(=O)C(C)SCC=O 62a_200015260668_100000211248 [1,1,0,0,0,0|1,0,0]=3 705 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [1,1,0,0,0,0|1,0,1]=4 706 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [1,1,0,0,0,0|1,0,1]=4 707 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [1,1,0,0,0,0|2,0,0]=4 708 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [1,1,0,0,0,0|2,0,0]=4 709 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,1,0,0,0,0|2,0,0]=4 710 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [1,1,0,0,0,0|1,0,1]=4 711 B9R0.13 CCC(NCC=O)C(=O)N 2230a_100000733705_200015260668 [1,1,0,0,0,0|2,0,0]=4 712 B9R0.13 CCC(NCC=O)C(=O)N 34a_100000733705_200009817547 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.13 CCC(SCC=O)C(=O)N 62a_100000750255_200015260668 [1,1,0,0,0,0|2,0,0]=4 714 B9R0.13 CCC(SCC=O)C(=O)N 62a_200015260668_100000750255 [1,1,0,0,0,0|2,0,0]=4 715 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,1,0,0,0,0|1,0,0]=3 716 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|1,0,1]=4 717 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|2,0,0]=4 719 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|2,0,0]=4 720 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|2,0,0]=4 721 B9R0.13 NC(=O)[C@H](CO)NCC=O 2230a_100000729942_200015260668 [1,1,0,0,0,0|2,0,0]=4 722 B9R0.13 NC(=O)[C@H](CO)NCC=O 34a_100000729942_200009817547 [1,1,0,0,0,0|2,0,0]=4 723 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|1,0,1]=4 724 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [1,1,0,0,0,0|1,0,0]=3 725 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [1,1,0,0,0,0|2,0,0]=4 726 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,1,0,0,0,0|1,0,1]=4 727 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [1,1,0,0,0,0|1,0,1]=4 728 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [1,1,0,0,0,0|1,0,1]=4 729 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [1,1,0,0,0,0|1,0,1]=4 730 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [1,1,0,0,0,0|2,0,0]=4 731 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [1,1,0,0,0,0|2,0,0]=4 732 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [1,1,0,0,0,0|1,0,0]=3 733 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [1,1,0,0,0,0|2,0,0]=4 734 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [1,1,0,0,0,0|2,0,0]=4 735 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [1,1,0,0,0,0|2,0,0]=4 736 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [1,1,0,0,0,0|2,0,0]=4 737 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [1,1,0,0,0,0|1,0,1]=4 738 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [1,1,0,0,0,0|2,0,0]=4 739 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [1,1,0,0,0,0|2,0,0]=4 740 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [1,1,0,0,0,0|2,0,0]=4 741 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [1,1,0,0,0,0|2,0,0]=4 742 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [1,1,0,0,0,0|2,0,0]=4 743 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [1,1,0,0,0,0|2,0,0]=4 744 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [1,1,0,0,0,0|1,0,0]=3 745 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [1,1,0,0,0,0|2,0,0]=4 748 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [1,1,0,0,0,0|1,0,0]=3 749 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [1,1,0,0,0,0|1,0,0]=3 750 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [1,1,0,0,0,0|1,0,1]=4 751 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [1,1,0,0,0,0|1,0,1]=4 752 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [1,1,0,0,0,0|1,0,1]=4 753 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [1,1,0,0,0,0|1,0,1]=4 754 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [1,1,0,0,0,0|1,0,1]=4 755 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [1,1,0,0,0,0|1,0,1]=4 756 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,1,0,0,0,0|0,0,0]=2 757 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [1,1,0,0,0,0|1,0,1]=4 758 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,1,0,0,0,0|0,0,1]=3 759 B9R0.47 CC(COCC=O)[N+](=O)[O-] 34a_100000039676_200009817547 [1,1,0,0,0,0|1,0,1]=4 760 B9R0.47 CC(COCC=O)[N+](=O)[O-] 7a_100000039676_200015260668 [1,1,0,0,0,0|1,0,1]=4 761 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [1,1,0,0,0,0|1,0,1]=4 762 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [1,1,0,0,0,0|1,0,1]=4 763 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,1,0,0,0,0|1,0,1]=4 764 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,1,0,0,0,0|1,0,1]=4 765 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [1,1,0,0,0,0|1,0,1]=4 766 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [1,1,0,0,0,0|1,0,1]=4 767 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [1,1,0,0,0,0|2,0,0]=4 768 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [1,1,0,0,0,0|1,0,1]=4 770 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [1,1,0,0,0,0|1,0,1]=4 771 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [1,1,0,0,0,0|1,0,1]=4 772 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [1,1,0,0,0,0|1,0,1]=4 773 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [1,1,0,0,0,0|1,0,1]=4 774 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [1,1,0,0,0,0|1,0,1]=4 775 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,1,0,0,0,0|0,0,1]=3 776 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [1,1,0,0,0,0|0,0,2]=4 777 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [1,1,0,0,0,0|2,0,0]=4 778 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [1,1,0,0,0,0|1,0,1]=4 779 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,1,0,0,0,0|1,0,0]=3 780 B9R0.51 CC(=O)C(C)(C)OCC=O 34a_100000747739_200009817547 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.51 CC(=O)C(C)(C)OCC=O 7a_100000747739_200015260668 [1,1,0,0,0,0|2,0,0]=4 782 B9R0.51 CC(=O)C(C)(C)SCC=O 62a_100000075568_200015260668 [1,1,0,0,0,0|2,0,0]=4 783 B9R0.51 CC(=O)C(C)(C)SCC=O 62a_200015260668_100000075568 [1,1,0,0,0,0|2,0,0]=4 784 B9R0.51 CC(C)(NCC=O)C(=O)N 2230a_100000743658_200015260668 [1,1,0,0,0,0|2,0,0]=4 785 B9R0.51 CC(C)(NCC=O)C(=O)N 34a_100000743658_200009817547 [1,1,0,0,0,0|2,0,0]=4 786 B9R0.51 CC(C)(OCC=O)C(=O)N 34a_100011626353_200009817547 [1,1,0,0,0,0|2,0,0]=4 787 B9R0.51 CC(C)(OCC=O)C(=O)N 7a_100011626353_200015260668 [1,1,0,0,0,0|2,0,0]=4 788 B9R0.51 CC(C)(SCC=O)C(=O)N 62a_100000702505_200015260668 [1,1,0,0,0,0|2,0,0]=4 789 B9R0.51 CC(C)(SCC=O)C(=O)N 62a_200015260668_100000702505 [1,1,0,0,0,0|2,0,0]=4 790 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [1,1,0,0,0,0|2,0,0]=4 791 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [1,1,0,0,0,0|1,0,1]=4 792 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [1,1,0,0,0,0|2,0,0]=4 793 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [1,1,0,0,0,0|1,0,1]=4 795 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [1,1,0,0,0,0|1,0,1]=4 796 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [1,1,0,0,0,0|1,0,1]=4 797 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [1,1,0,0,0,0|1,0,1]=4 798 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [1,1,0,0,0,0|1,0,1]=4 799 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [1,1,0,0,0,0|1,0,1]=4 800 B9R0.43 O=CC(C=O)NCC(=O)O 269956a_100016091260_100011218033 [1,1,0,0,0,0|1,0,1]=4 801 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,1,0,0,0,0|1,0,1]=4 802 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,1,0,0,0,0|1,0,1]=4 804 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,1,0,0,0,0|2,0,0]=4 805 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [1,1,0,0,0,0|2,0,0]=4 806 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,0]=3 809 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 810 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|2,0,0]=4 811 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,1]=4 812 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|2,0,0]=4 813 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|2,0,0]=4 816 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,1,0,0,0,0|2,0,0]=4 817 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,0]=3 818 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,0]=3 819 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,0]=3 820 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 821 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,1,0,0,0,0|2,0,0]=4 822 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|1,0,0]=3 823 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|2,0,0]=4 825 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,1,0,0,0,0|2,0,0]=4 826 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,1,0,0,0,0|2,0,0]=4 827 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|2,0,0]=4 828 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,1,0,0,0,0|1,0,1]=4 829 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,1,0,0,0,0|1,0,1]=4 830 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|1,0,0]=3 831 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 832 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 833 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,1,0,0,0,0|2,0,0]=4 835 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [1,1,0,0,0,0|2,0,0]=4 836 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [1,1,0,0,0,0|1,0,1]=4 837 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,1,0,0,1,0|2,0,0]=4 838 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,1,0|2,0,0]=4 839 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,1,0|2,0,0]=4 840 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,1,0,0,1,0|2,0,0]=4 841 B11R0.33 CC(=O)OC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009818208 [0,1,0,0,0,1|2,0,0]=4 842 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,0,0,0,1|2,0,0]=4 843 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,1,0,0,0,1|2,0,0]=4 844 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,1,0,0,0,1|1,0,0]=3 845 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,0,1|2,0,0]=4 846 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,1,0,0,0,1|2,0,0]=4 847 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,1,0,0,0,1|2,0,0]=4 848 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [0,1,0,0,0,1|1,0,1]=4 849 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [0,1,0,0,0,1|1,0,1]=4 850 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [0,1,0,0,0,1|2,0,0]=4 851 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [0,1,0,0,0,1|2,0,0]=4 852 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,1,0,0,0,1|2,0,0]=4 853 B11R0.107 COC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000204255 [0,1,0,0,0,1|2,0,0]=4 854 B11R0.107 COC(=O)CCN(C)CC(=O)N 269982a_100025711912_100000187820 [0,1,0,0,0,1|2,0,0]=4 855 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,1,0,0,0,1|1,0,0]=3 856 B11R0.107 COC(=O)CCN(C)CC(=O)[O-] 269982a_100025711912_100020667443 [0,1,0,0,0,1|1,0,1]=4 857 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100000747449_100009818208 [0,1,0,0,0,1|2,0,0]=4 858 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747449 [0,1,0,0,0,1|2,0,0]=4 859 B11R0.143 CCN(CCC(=O)C)CC(=O)O 269956a_100000746405_100000053229 [0,1,0,0,0,1|2,0,0]=4 860 B11R0.143 CCN(CCC(=O)N)CC(=O)O 269956a_100000746405_100000744528 [0,1,0,0,0,1|2,0,0]=4 861 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,1,0,0,0,1|2,0,0]=4 862 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,1,0,0,0,1|1,0,1]=4 863 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,1,0,0,0,1|2,0,0]=4 864 B11R0.143 O=C([O-])CN[C@H](CO)CC(=O)O 269956a_100009816507_100020667443 [0,1,0,0,0,1|1,0,1]=4 865 B11R0.149 CC(=O)OC(C)N(C)CC(=O)O 269956a_100000746989_100009818208 [0,1,0,0,0,1|2,0,0]=4 866 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,1,0,0,0,1|2,0,0]=4 867 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,1,0,0,0,1|2,0,0]=4 868 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,1,0,0,0,1|2,0,0]=4 869 B11R0.232 CC(C)(CC(=O)O)NCC(=O)[O-] 269956a_100000755897_100020667443 [0,1,0,0,0,1|1,0,1]=4 870 B11R0.109 C=C(C#N)CNCC(C)C(=O)O 269956a_100000749485_100000694840 [0,1,0,0,0,1|2,0,0]=4 871 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,1,0,0,0,1|1,0,1]=4 872 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,1,0,0,0,1|0,0,2]=4 873 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,1,0,0,0,1|1,0,1]=4 874 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,1,0,0,0,1|1,0,1]=4 875 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,1,0,0,0,1|0,0,2]=4 876 B11R0.109 CC(OCCC(=NO)N)C(=O)N 34a_100000749954_100000702099 [0,1,0,0,0,1|2,0,0]=4 877 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,1,0,0,0,1|1,0,0]=3 878 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,1,0,0,0,1|2,0,0]=4 879 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,1,0,0,0,1|2,0,0]=4 880 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,1,0,0,0,1|1,0,1]=4 881 B11R0.109 CNC(=O)CCNC(C)C(=O)C 2230a_100000738227_100009814033 [0,1,0,0,0,1|2,0,0]=4 882 B11R0.109 CNC(=O)CCNC(C)C(=O)N 2230a_100000738227_100000702099 [0,1,0,0,0,1|2,0,0]=4 883 B11R0.109 CNC(=O)CCNC(C)C(=O)N 34a_100000738227_100000702099 [0,1,0,0,0,1|2,0,0]=4 884 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,1,0,0,0,1|1,0,0]=3 885 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000737683 [0,1,0,0,0,1|2,0,0]=4 886 B11R0.109 CNC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100012179268 [0,1,0,0,0,1|2,0,0]=4 887 B11R0.109 CNC(=O)CCOC(C)C(=O)C 34a_100000212229_100012179268 [0,1,0,0,0,1|2,0,0]=4 888 B11R0.109 CNC(=O)CCOC(C)C(=O)N 34a_100000754576_100000702099 [0,1,0,0,0,1|2,0,0]=4 889 B11R0.109 CNC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000737683 [0,1,0,0,0,1|1,0,1]=4 890 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100012179268 [0,1,0,0,0,1|2,0,0]=4 891 B11R0.109 CNC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000737683 [0,1,0,0,0,1|2,0,0]=4 892 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100000737683_100009814033 [0,1,0,0,0,1|2,0,0]=4 893 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737683 [0,1,0,0,0,1|2,0,0]=4 894 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000702099_100000737683 [0,1,0,0,0,1|2,0,0]=4 895 B11R0.109 CNC(=O)CCSC(C)C(=O)N 62a_100000737683_100000702099 [0,1,0,0,0,1|2,0,0]=4 896 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,1,0,0,0,1|1,0,0]=3 897 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,1,0,0,0,1|2,0,0]=4 898 B11R0.109 CNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183359 [0,1,0,0,0,1|2,0,0]=4 899 B11R0.109 CNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183359 [0,1,0,0,0,1|2,0,0]=4 900 B11R0.109 COC(=O)CCCN(C)C(=O)C 240690a_100000739225_100015343762 [0,1,0,0,0,1|2,0,0]=4 901 B11R0.109 COC(=O)CCCN(C)C(=O)C 527a_100000739225_100103153847 [0,1,0,0,0,1|2,0,0]=4 902 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,1,0,0,0,1|0,0,0]=2 903 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000204255 [0,1,0,0,0,1|1,0,0]=3 904 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000742370 [0,1,0,0,0,1|1,0,0]=3 905 B11R0.109 COC(=O)CCOC(C)C(=O)C 34a_100000212229_100000742370 [0,1,0,0,0,1|1,0,0]=3 906 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204255 [0,1,0,0,0,1|0,0,1]=3 907 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000742370 [0,1,0,0,0,1|1,0,0]=3 908 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000204255 [0,1,0,0,0,1|1,0,0]=3 909 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100000204255_100009814033 [0,1,0,0,0,1|1,0,0]=3 910 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100009814033_100000204255 [0,1,0,0,0,1|1,0,0]=3 911 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000204255_100000702099 [0,1,0,0,0,1|1,0,0]=3 912 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000702099_100000204255 [0,1,0,0,0,1|1,0,0]=3 913 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100000204255_100009813875 [0,1,0,0,0,1|2,0,0]=4 914 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100009813875_100000204255 [0,1,0,0,0,1|2,0,0]=4 915 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100000204255_100020610796 [0,1,0,0,0,1|1,0,1]=4 916 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000204255 [0,1,0,0,0,1|1,0,1]=4 917 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,1,0,0,0,1|0,0,0]=2 918 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,1,0,0,0,1|1,0,0]=3 919 B11R0.109 COC(=O)COCC(C)C(=O)C 34a_100000032740_100000747449 [0,1,0,0,0,1|1,0,0]=3 920 B11R0.109 COC(=O)COCC(C)C(=O)C 7a_100000032740_100000747449 [0,1,0,0,0,1|1,0,0]=3 921 B11R0.109 COC(=O)COCC(C)[N+](=O)[O-] 34a_100000039676_100000747449 [0,1,0,0,0,1|1,0,1]=4 922 B11R0.109 COC(=O)COCC(C)[N+](=O)[O-] 7a_100000039676_100000747449 [0,1,0,0,0,1|1,0,1]=4 923 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,1,0,0,0,1|2,0,0]=4 924 B11R0.109 COC(=O)OCSC(C)C(=O)C 62a_100009814033_100000139417 [0,1,0,0,0,1|2,0,0]=4 925 B11R0.109 COC(=O)OCSC(C)C(=O)N 62a_100000702099_100000139417 [0,1,0,0,0,1|2,0,0]=4 926 B11R0.145 C=C(Br)CCOC(C)C(=O)OC 34a_100009813270_100000211248 [0,1,0,0,0,1|2,0,0]=4 927 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100000764851_100000211248 [0,1,0,0,0,1|2,0,0]=4 928 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100011215400_100000730704 [0,1,0,0,0,1|2,0,0]=4 929 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000211248_100000730704 [0,1,0,0,0,1|2,0,0]=4 930 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000730704_100000211248 [0,1,0,0,0,1|2,0,0]=4 931 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000210245_100000698445 [0,1,0,0,0,1|2,0,0]=4 932 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000749362_100000748629 [0,1,0,0,0,1|2,0,0]=4 933 B11R0.145 C=C(C)COCC(C)C(=O)OC 7a_100000749362_100000748629 [0,1,0,0,0,1|2,0,0]=4 934 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [0,1,0,0,0,1|2,0,0]=4 935 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [0,1,0,0,0,1|2,0,0]=4 936 B11R0.145 C=C(F)COCC(C)C(=O)OC 34a_100000749362_100009893438 [0,1,0,0,0,1|2,0,0]=4 937 B11R0.145 C=C(F)COCC(C)C(=O)OC 34a_200010262243_100000698445 [0,1,0,0,0,1|2,0,0]=4 938 B11R0.145 C=C(F)COCC(C)C(=O)OC 7a_100000749362_100000042424 [0,1,0,0,0,1|2,0,0]=4 939 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000042424_100000698445 [0,1,0,0,0,1|2,0,0]=4 940 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000698445_100000042424 [0,1,0,0,0,1|2,0,0]=4 941 B11R0.145 CC(OCCC(=O)N)C(=O)NN 34a_100000725659_100000731001 [0,1,0,0,0,1|2,0,0]=4 942 B11R0.145 CCC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000742827 [0,1,0,0,0,1|2,0,0]=4 943 B11R0.145 CCC(=O)C(C)OCCC(=O)C 7a_100000759926_100000742827 [0,1,0,0,0,1|2,0,0]=4 944 B11R0.145 CCC(=O)C(C)OCCC(=O)N 7a_100000757172_100000742827 [0,1,0,0,0,1|2,0,0]=4 945 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000053229_100000742827 [0,1,0,0,0,1|2,0,0]=4 946 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000742827_100000053229 [0,1,0,0,0,1|2,0,0]=4 947 B11R0.145 CCC(=O)C(C)SCCC(=O)N 62a_100000742827_100000744528 [0,1,0,0,0,1|2,0,0]=4 948 B11R0.145 CCC(=O)C(C)SCCC(=O)N 62a_100000744528_100000742827 [0,1,0,0,0,1|2,0,0]=4 949 B11R0.145 CNC(=O)C(C)CNCC(=O)N 2230a_100015187722_100000747473 [0,1,0,0,0,1|2,0,0]=4 950 B11R0.145 CNC(=O)C(C)CNCC(=O)N 34a_100015187722_100000187820 [0,1,0,0,0,1|2,0,0]=4 951 B11R0.145 CNC(=O)C(C)CNCC(=O)[O-] 34a_100015187722_100020667443 [0,1,0,0,0,1|1,0,1]=4 952 B11R0.145 CNC(=O)C(C)NOCC(=O)O 269956a_100000106656_100000209862 [0,1,0,0,0,1|2,0,0]=4 953 B11R0.145 CNC(=O)C(C)OCCC(=O)C 34a_100000759926_100000731044 [0,1,0,0,0,1|2,0,0]=4 954 B11R0.145 CNC(=O)C(C)OCCC(=O)C 7a_100000759926_100000209862 [0,1,0,0,0,1|2,0,0]=4 955 B11R0.145 CNC(=O)C(C)OCCC(=O)N 34a_100000757172_100000731044 [0,1,0,0,0,1|2,0,0]=4 956 B11R0.145 CNC(=O)C(C)OCCC(=O)N 7a_100000757172_100000209862 [0,1,0,0,0,1|2,0,0]=4 957 B11R0.145 CNC(=O)C(C)SCCC(=O)C 62a_100000053229_100000731044 [0,1,0,0,0,1|2,0,0]=4 958 B11R0.145 CNC(=O)C(C)SCCC(=O)C 62a_100000209862_100000053229 [0,1,0,0,0,1|2,0,0]=4 959 B11R0.145 CNC(=O)C(C)SCCC(=O)N 62a_100000209862_100000744528 [0,1,0,0,0,1|2,0,0]=4 960 B11R0.145 CNC(=O)C(C)SCCC(=O)N 62a_100000744528_100000731044 [0,1,0,0,0,1|2,0,0]=4 961 B11R0.145 CNC(=O)[C@@H](C)NCCC(=O)N 2230a_100000684985_100000744528 [0,1,0,0,0,1|2,0,0]=4 962 B11R0.145 CNC(=O)[C@@H](C)NCCC(=O)N 34a_100000684985_100000731001 [0,1,0,0,0,1|2,0,0]=4 963 B11R0.145 COC(=O)C(C)CNCC(C)O 34a_100000210904_100000698445 [0,1,0,0,0,1|1,0,1]=4 964 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,1,0,0,0,1|1,0,0]=3 965 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,1,0,0,0,1|1,0,0]=3 966 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,1,0,0,0,1|1,0,0]=3 967 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [0,1,0,0,0,1|0,0,1]=3 968 B11R0.145 COC(=O)C(C)COCC(C)O 34a_100000749362_100011218427 [0,1,0,0,0,1|1,0,1]=4 969 B11R0.145 COC(=O)C(C)COCC(C)O 7a_100000749362_100011218427 [0,1,0,0,0,1|1,0,1]=4 970 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 34a_100000749362_100009817552 [0,1,0,0,0,1|1,0,1]=4 971 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 7a_100000749362_100009817552 [0,1,0,0,0,1|1,0,1]=4 972 B11R0.145 COC(=O)C(C)COC[N+](=O)[O-] 34a_100000749362_100000761209 [0,1,0,0,0,1|1,0,1]=4 973 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,1,0,0,0,1|1,0,0]=3 974 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,1,0,0,0,1|1,0,0]=3 975 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,1,0,0,0,1|0,0,1]=3 976 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,1,0,0,0,1|0,0,1]=3 977 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100000698445_100011218427 [0,1,0,0,0,1|1,0,1]=4 978 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100011218427_100000698445 [0,1,0,0,0,1|1,0,1]=4 979 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100000698445_100009817552 [0,1,0,0,0,1|1,0,1]=4 980 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100009817552_100000698445 [0,1,0,0,0,1|1,0,1]=4 981 B11R0.145 COC(=O)C(C)CSC[N+](=O)[O-] 62a_100000698445_100000761209 [0,1,0,0,0,1|1,0,1]=4 982 B11R0.145 COC(=O)C(C)NCCC(C)O 2230a_200000755665_100000211248 [0,1,0,0,0,1|1,0,1]=4 983 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,1,0,0,0,1|1,0,0]=3 984 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,1,0,0,0,1|1,0,0]=3 985 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [0,1,0,0,0,1|1,0,0]=3 986 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [0,1,0,0,0,1|1,0,0]=3 987 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [0,1,0,0,0,1|1,0,0]=3 988 B11R0.145 COC(=O)C(C)OCCC(C)O 34a_100011215400_100012276601 [0,1,0,0,0,1|1,0,1]=4 989 B11R0.145 COC(=O)C(C)OCOC(=O)C 34a_100011215400_100009813279 [0,1,0,0,0,1|2,0,0]=4 990 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,1,0,0,0,1|1,0,0]=3 991 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,1,0,0,0,1|1,0,0]=3 992 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [0,1,0,0,0,1|1,0,0]=3 993 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [0,1,0,0,0,1|1,0,0]=3 994 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100000211248_100012276601 [0,1,0,0,0,1|1,0,1]=4 995 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100012276601_100000211248 [0,1,0,0,0,1|1,0,1]=4 996 B11R0.145 COC(=O)C(C)SCOC(=O)C 62a_100000076356_100000211248 [0,1,0,0,0,1|2,0,0]=4 997 B11R0.145 COC(=O)C(C)SCOC(=O)C 62a_100000211248_100000076356 [0,1,0,0,0,1|2,0,0]=4 998 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [0,1,0,0,0,1|2,0,0]=4 999 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [0,1,0,0,0,1|1,0,1]=4 1000 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [0,1,0,0,0,1|2,0,0]=4 1001 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [0,1,0,0,0,1|2,0,0]=4 1002 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,1,0,0,0,1|2,0,0]=4 1003 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,1,0,0,0,1|1,0,1]=4 1004 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011261029 [0,1,0,0,0,1|1,0,1]=4 1005 B11R0.150 CC(=O)C(C)COC(C)C(=O)C 7a_100000032740_100000179758 [0,1,0,0,0,1|2,0,0]=4 1006 B11R0.150 CC(=O)C(C)COC(C)C(=O)N 34a_100000032740_100000702099 [0,1,0,0,0,1|2,0,0]=4 1007 B11R0.150 CC(=O)C(C)COC(C)C(=O)N 7a_100000032740_100000702099 [0,1,0,0,0,1|2,0,0]=4 1008 B11R0.150 CC(=O)C(C)COC(F)C(=O)N 34a_100000032740_100009813875 [0,1,0,0,0,1|2,0,0]=4 1009 B11R0.150 CC(=O)C(C)COC(F)C(=O)N 7a_100000032740_100009813875 [0,1,0,0,0,1|2,0,0]=4 1010 B11R0.150 CC(=O)C(C)COC(F)C(=O)[O-] 34a_100000032740_100020610796 [0,1,0,0,0,1|1,0,1]=4 1011 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,1,0,0,0,1|1,0,0]=3 1012 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [0,1,0,0,0,1|1,0,0]=3 1013 B11R0.150 CC(OC[C@H](N)C(=O)N)C(=O)N 34a_100000729942_100000702099 [0,1,0,0,0,1|2,0,0]=4 1014 B11R0.202 C=C(C)CNCC(C)(C)C(=O)O 269956a_100000693527_100000748629 [0,1,0,0,0,1|2,0,0]=4 1015 B11R0.202 C=C(F)CNCC(C)(C)C(=O)O 269956a_100000693527_100000042424 [0,1,0,0,0,1|2,0,0]=4 1016 B11R0.202 CC(=O)C(C)(C)NOCC(=O)O 269956a_100000106656_100000075568 [0,1,0,0,0,1|2,0,0]=4 1017 B11R0.202 CC(=O)C(C)(C)OCCC(=O)N 34a_100000747739_100000731001 [0,1,0,0,0,1|2,0,0]=4 1018 B11R0.202 CC(=O)C(C)(C)OCCC(=O)N 7a_100000747739_100000744528 [0,1,0,0,0,1|2,0,0]=4 1019 B11R0.202 CC(=O)C(C)(C)OCCC(=O)N 7a_100000757172_100000075568 [0,1,0,0,0,1|2,0,0]=4 1020 B11R0.202 CC(=O)C(C)(C)SCCC(=O)N 62a_100000075568_100000744528 [0,1,0,0,0,1|2,0,0]=4 1021 B11R0.202 CC(=O)C(C)(C)SCCC(=O)N 62a_100000744528_100000075568 [0,1,0,0,0,1|2,0,0]=4 1022 B11R0.202 CC(=O)CCOC(C)(C)C(=O)C 7a_100000747739_100000053229 [0,1,0,0,0,1|2,0,0]=4 1023 B11R0.202 CC(=O)CCOC(C)(C)C(=O)C 7a_100000759926_100000075568 [0,1,0,0,0,1|2,0,0]=4 1024 B11R0.202 CC(=O)CCOC(C)(C)C(=O)N 34a_100000759926_100000702505 [0,1,0,0,0,1|2,0,0]=4 1025 B11R0.202 CC(=O)CCOC(C)(C)C(=O)N 7a_100000759926_100000702505 [0,1,0,0,0,1|2,0,0]=4 1026 B11R0.202 CC(=O)CCOC(C)(C)C(=O)N 7a_100011626353_100000053229 [0,1,0,0,0,1|2,0,0]=4 1027 B11R0.202 CC(=O)CCSC(C)(C)C(=O)C 62a_100000053229_100000075568 [0,1,0,0,0,1|2,0,0]=4 1028 B11R0.202 CC(=O)CCSC(C)(C)C(=O)C 62a_100000075568_100000053229 [0,1,0,0,0,1|2,0,0]=4 1029 B11R0.202 CC(=O)CCSC(C)(C)C(=O)N 62a_100000053229_100000702505 [0,1,0,0,0,1|2,0,0]=4 1030 B11R0.202 CC(=O)CCSC(C)(C)C(=O)N 62a_100000702505_100000053229 [0,1,0,0,0,1|2,0,0]=4 1031 B11R0.202 CC(=O)COCC(C)(C)C(=O)N 34a_100000211253_200009895572 [0,1,0,0,0,1|2,0,0]=4 1032 B11R0.202 CC(C)(CNCC(=O)N)C(=O)N 2230a_100000740840_100000747473 [0,1,0,0,0,1|2,0,0]=4 1033 B11R0.202 CC(C)(CNCC(=O)N)C(=O)N 34a_100000740840_100000187820 [0,1,0,0,0,1|2,0,0]=4 1034 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [0,1,0,0,0,1|1,0,0]=3 1035 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)N 34a_100000740840_100020667443 [0,1,0,0,0,1|1,0,1]=4 1036 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)O 269956a_100000693527_100020667443 [0,1,0,0,0,1|0,0,1]=3 1037 B11R0.202 CC(C)(CNC[N+](=O)[O-])C(=O)O 269956a_100000693527_100000761209 [0,1,0,0,0,1|1,0,1]=4 1038 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_100000747473_200009895572 [0,1,0,0,0,1|2,0,0]=4 1039 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_200009895572_100000747473 [0,1,0,0,0,1|2,0,0]=4 1040 B11R0.202 CC(C)(CSCC(=O)[O-])C(=O)N 62a_100020667443_200009895572 [0,1,0,0,0,1|1,0,1]=4 1041 B11R0.202 CC(C)(CSCC(=O)[O-])C(=O)N 62a_200009895572_100020667443 [0,1,0,0,0,1|1,0,1]=4 1042 B11R0.202 CC(C)(NCCC(=O)N)C(=O)N 2230a_100000743658_100000744528 [0,1,0,0,0,1|2,0,0]=4 1043 B11R0.202 CC(C)(NCCC(=O)N)C(=O)N 34a_100000743658_100000731001 [0,1,0,0,0,1|2,0,0]=4 1044 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 34a_100000757172_100000702505 [0,1,0,0,0,1|2,0,0]=4 1045 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 34a_100011626353_100000731001 [0,1,0,0,0,1|2,0,0]=4 1046 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 7a_100000757172_100000702505 [0,1,0,0,0,1|2,0,0]=4 1047 B11R0.202 CC(C)(OCCC(=O)N)C(=O)N 7a_100011626353_100000744528 [0,1,0,0,0,1|2,0,0]=4 1048 B11R0.202 CC(C)(ONCC(=O)N)C(=O)O 269956a_100016989451_100000187820 [0,1,0,0,0,1|2,0,0]=4 1049 B11R0.202 CC(C)(ONCC(=O)[O-])C(=O)O 269956a_100016989451_100020667443 [0,1,0,0,0,1|1,0,1]=4 1050 B11R0.202 CC(C)(SCCC(=O)N)C(=O)N 62a_100000702505_100000744528 [0,1,0,0,0,1|2,0,0]=4 1051 B11R0.202 CC(C)(SCCC(=O)N)C(=O)N 62a_100000744528_100000702505 [0,1,0,0,0,1|2,0,0]=4 1052 B11R0.202 CC(O)CNCC(C)(C)C(=O)O 269956a_100000693527_100011218427 [0,1,0,0,0,1|1,0,1]=4 1053 B11R0.202 C[C@@H](O)CNCC(C)(C)C(=O)O 269956a_100000693527_100009817552 [0,1,0,0,0,1|1,0,1]=4 1054 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000187820 [0,1,0,0,0,1|2,0,0]=4 1055 B11R0.202 O=C([O-])CNCC(F)(F)C(=O)O 269956a_100000734215_100020667443 [0,1,0,0,0,1|1,0,1]=4 1056 B11R0.273 C=C(C)CCNC(CO)C(=O)O 269956a_100000187304_100000730704 [0,1,0,0,0,1|2,0,0]=4 1057 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000730704 [0,1,0,0,0,1|2,0,0]=4 1058 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,1,0,0,0,1|1,0,1]=4 1059 B11R0.273 C=C[C@H](NCCC(=O)N)C(=O)O 269956a_100016992060_100000744528 [0,1,0,0,0,1|1,0,1]=4 1060 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,1,0,0,0,1|1,0,0]=3 1061 B11R0.273 CC(=O)OCNC(CO)C(=O)O 269956a_100000187304_100000076356 [0,1,0,0,0,1|2,0,0]=4 1062 B11R0.273 CC(O)CCNC(CO)C(=O)O 269956a_100000187304_100012276601 [0,1,0,0,0,1|1,0,1]=4 1063 B11R0.273 CCC(NCCC(=O)N)C(=O)N 2230a_100000733705_100000744528 [0,1,0,0,0,1|2,0,0]=4 1064 B11R0.273 CCC(NCCC(=O)N)C(=O)N 34a_100000733705_100000731001 [0,1,0,0,0,1|2,0,0]=4 1065 B11R0.273 CCC(NOCC(=O)O)C(=O)N 269956a_100000106656_200011216081 [0,1,0,0,0,1|2,0,0]=4 1066 B11R0.273 CCC(OCCC(=O)C)C(=O)N 34a_100000759926_100000750255 [0,1,0,0,0,1|2,0,0]=4 1067 B11R0.273 CCC(OCCC(=O)C)C(=O)N 7a_100000759926_100000750255 [0,1,0,0,0,1|2,0,0]=4 1068 B11R0.273 CCC(OCCC(=O)N)C(=O)N 34a_100000757172_100000750255 [0,1,0,0,0,1|2,0,0]=4 1069 B11R0.273 CCC(OCCC(=O)N)C(=O)N 7a_100000757172_100000750255 [0,1,0,0,0,1|2,0,0]=4 1070 B11R0.273 CCC(SCCC(=O)C)C(=O)N 62a_100000053229_100000750255 [0,1,0,0,0,1|2,0,0]=4 1071 B11R0.273 CCC(SCCC(=O)C)C(=O)N 62a_100000750255_100000053229 [0,1,0,0,0,1|2,0,0]=4 1072 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000744528_100000750255 [0,1,0,0,0,1|2,0,0]=4 1073 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000750255_100000744528 [0,1,0,0,0,1|2,0,0]=4 1074 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,1,0,0,0,1|1,0,0]=3 1075 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,1,0,0,0,1|1,0,0]=3 1076 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [0,1,0,0,0,1|1,0,1]=4 1077 B11R0.273 CC[C@@H](NCOC(=O)C)C(=O)O 269956a_100000747097_100000076356 [0,1,0,0,0,1|2,0,0]=4 1078 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,1,0,0,0,1|1,0,0]=3 1079 B11R0.273 NC(=O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000744528 [0,1,0,0,0,1|2,0,0]=4 1080 B11R0.273 NC(=O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000731001 [0,1,0,0,0,1|2,0,0]=4 1081 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [0,1,0,0,0,1|1,0,1]=4 1082 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,1,0,0,0,1|1,0,1]=4 1083 B11R0.318 CC(CNCS(=O)(=O)[O-])C(=O)O 269956a_100000749485_100009817235 [0,1,0,0,0,1|1,0,1]=4 1084 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000743915_100000702414 [0,1,0,0,0,1|1,0,1]=4 1085 B11R0.318 C[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000743915_100000731031 [0,1,0,0,0,1|1,0,1]=4 1086 B11R0.318 C[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000743915_100000762736 [0,1,0,0,0,1|1,0,1]=4 1087 B11R0.52 CC(=O)C(C)(C)N(C)CC(=O)O 269956a_100000746989_100000075568 [0,2,0,0,0,0|2,0,0]=4 1088 B11R0.63 CCC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000742827 [0,2,0,0,0,0|2,0,0]=4 1089 B11R0.63 CNC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000209862 [0,2,0,0,0,0|2,0,0]=4 1090 B11R0.63 COC(=O)C(C)C(=O)CC(=O)N 1458a_100012027023_100000187820 [0,2,0,0,0,0|1,0,1]=4 1091 B11R0.63 COC(=O)C(C)C(=O)CC(=O)N 1458a_100134613110_100000211248 [0,2,0,0,0,0|1,0,1]=4 1092 B11R0.63 COC(=O)C(C)C(=O)CC(=O)[O-] 1458a_100012027023_100020667443 [0,2,0,0,0,0|0,0,2]=4 1093 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000725243_100000747473 [0,2,0,0,0,0|2,0,0]=4 1094 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100000211248 [0,2,0,0,0,0|2,0,0]=4 1095 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 269982a_100000725243_100000187820 [0,2,0,0,0,0|2,0,0]=4 1096 B11R0.63 COC(=O)C(C)N(C)CC(=O)[O-] 269982a_100000725243_100020667443 [0,2,0,0,0,0|1,0,1]=4 1097 B11R0.92 CCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747405 [0,2,0,0,0,0|2,0,0]=4 1098 B11R0.92 CNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183359 [0,2,0,0,0,0|2,0,0]=4 1099 B11R0.92 COC(=O)CC(=O)C(C)C(=O)C 1458a_100000211351_100000179758 [0,2,0,0,0,0|1,0,1]=4 1100 B11R0.92 COC(=O)CC(=O)C(C)C(=O)N 1458a_100000211351_100000702099 [0,2,0,0,0,0|1,0,1]=4 1101 B11R0.92 COC(=O)CN(C)C(C)C(=O)C 2230a_100000198492_100009814033 [0,2,0,0,0,0|2,0,0]=4 1102 B11R0.92 COC(=O)CN(C)C(C)C(=O)N 2230a_100000198492_100000702099 [0,2,0,0,0,0|2,0,0]=4 1103 B11R0.92 COC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747449 [0,2,0,0,0,0|1,0,0]=3 1104 B11R0.144 CCN(CC(=O)O)C(C)C(=O)C 269956a_100000746405_100009814033 [0,2,0,0,0,0|2,0,0]=4 1105 B11R0.206 CC(=O)C(C)N(C)C(C)C(=O)O 269956a_100000749554_100009814033 [0,2,0,0,0,0|2,0,0]=4 1106 B11R0.282 CCC(C(=O)N)N(C)CC(=O)O 269956a_100000746989_200011216081 [0,2,0,0,0,0|2,0,0]=4 1107 B11R0.282 CN(CC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000187820 [0,2,0,0,0,0|2,0,0]=4 1108 B11R0.282 CN(CC(=O)[O-])[C@@H](CO)C(=O)O 269956a_100015362447_100020667443 [0,2,0,0,0,0|1,0,1]=4 1109 B11R0.169 CC(=O)C(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000075568 [0,2,0,0,0,0|2,0,0]=4 1110 B11R0.201 CC(C)(CNC(=O)CO)C(=O)N 240690a_100000740840_100000210174 [0,2,0,0,0,0|2,0,0]=4 1111 B11R0.201 CC(C)(CNC(=O)CO)C(=O)N 527a_100000740840_100000210174 [0,2,0,0,0,0|2,0,0]=4 1112 B11R0.201 COC(=O)CNC(C)(C)C(=O)N 2230a_100000743658_100000747449 [0,2,0,0,0,0|2,0,0]=4 1113 B11R0.201 COC(=O)CNC(C)(C)C(=O)N 34a_100000743658_100000747449 [0,2,0,0,0,0|2,0,0]=4 1114 B11R0.201 COC(=O)COC(C)(C)C(=O)C 34a_100000747739_100000747449 [0,2,0,0,0,0|2,0,0]=4 1115 B11R0.201 COC(=O)COC(C)(C)C(=O)C 7a_100000747739_100000747449 [0,2,0,0,0,0|2,0,0]=4 1116 B11R0.201 COC(=O)COC(C)(C)C(=O)N 34a_100011626353_100000747449 [0,2,0,0,0,0|2,0,0]=4 1117 B11R0.201 COC(=O)COC(C)(C)C(=O)N 7a_100011626353_100000747449 [0,2,0,0,0,0|2,0,0]=4 1118 B11R0.201 COC(=O)CSC(C)(C)C(=O)C 62a_100000075568_100000747449 [0,2,0,0,0,0|2,0,0]=4 1119 B11R0.201 COC(=O)CSC(C)(C)C(=O)C 62a_100000747449_100000075568 [0,2,0,0,0,0|2,0,0]=4 1120 B11R0.201 COC(=O)CSC(C)(C)C(=O)N 62a_100000702505_100000747449 [0,2,0,0,0,0|2,0,0]=4 1121 B11R0.201 COC(=O)CSC(C)(C)C(=O)N 62a_100000747449_100000702505 [0,2,0,0,0,0|2,0,0]=4 1122 B11R0.288 CNC(=O)C(C)(C)NCC(=O)O 269956a_100016091260_100000732697 [0,2,0,0,0,0|2,0,0]=4 1123 B11R0.288 COC(=O)C(C)(C)CNC(=O)C 188690a_100000686941_100015343762 [0,2,0,0,0,0|2,0,0]=4 1124 B11R0.288 COC(=O)C(C)(C)NCC(=O)N 2230a_100000711301_100000689032 [0,2,0,0,0,0|2,0,0]=4 1125 B11R0.288 COC(=O)C(C)(C)OCC(=O)N 34a_100011217581_100000187820 [0,2,0,0,0,0|2,0,0]=4 1126 B11R0.288 COC(=O)C(C)(C)OCC(=O)N 7a_100011217581_100000187820 [0,2,0,0,0,0|2,0,0]=4 1127 B11R0.288 COC(=O)C(C)(C)OCC(=O)[O-] 34a_100011217581_100020667443 [0,2,0,0,0,0|1,0,1]=4 1128 B11R0.288 COC(=O)C(C)(C)SCC(=O)N 62a_100000689032_100000747473 [0,2,0,0,0,0|2,0,0]=4 1129 B11R0.288 COC(=O)C(C)(C)SCC(=O)N 62a_100000747473_100000689032 [0,2,0,0,0,0|2,0,0]=4 1130 B11R0.288 COC(=O)C(C)(C)SCC(=O)[O-] 62a_100000689032_100020667443 [0,2,0,0,0,0|1,0,1]=4 1131 B11R0.288 COC(=O)C(C)(C)SCC(=O)[O-] 62a_100020667443_100000689032 [0,2,0,0,0,0|1,0,1]=4 1132 B11R0.288 COC(=O)C(C)(F)NCC(=O)N 2230a_100000711301_200009867631 [0,2,0,0,0,0|2,0,0]=4 1133 B11R0.288 COC(=O)C(C)(F)OCC(=O)C 34a_100000211253_200009867631 [0,2,0,0,0,0|2,0,0]=4 1134 B11R0.288 COC(=O)C(C)(F)SCC(=O)N 62a_100000747473_200009867631 [0,2,0,0,0,0|2,0,0]=4 1135 B11R0.288 COC(=O)C(C)(F)SCC(=O)N 62a_200009867631_100000747473 [0,2,0,0,0,0|2,0,0]=4 1136 B11R0.288 COC(=O)C(C)(F)SCC(=O)[O-] 62a_100020667443_200009867631 [0,2,0,0,0,0|1,0,1]=4 1137 B11R0.288 COC(=O)C(C)(F)SCC(=O)[O-] 62a_200009867631_100020667443 [0,2,0,0,0,0|1,0,1]=4 1138 B11R0.371 CCC(C)(NCC(=O)N)C(=O)O 269956a_100025756313_100000187820 [0,2,0,0,0,0|2,0,0]=4 1139 B11R0.371 CCC(C)(NCC(=O)[O-])C(=O)O 269956a_100025756313_100020667443 [0,2,0,0,0,0|1,0,1]=4 1140 B11R0.59 CC(=O)SC[C@@H](C)C(=O)CCO 1458a_200015407212_100000211926 [0,2,0,0,0,0|2,0,0]=4 1141 B11R0.59 CCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230173 [0,2,0,0,0,0|2,0,0]=4 1142 B11R0.59 CCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100011215307 [0,2,0,0,0,0|2,0,0]=4 1143 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,2,0,0,0,0|2,0,0]=4 1144 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100000747473_100011216346 [0,2,0,0,0,0|2,0,0]=4 1145 B11R0.59 CCOC(=O)C(C)SCC(=O)N 62a_100011216346_100000747473 [0,2,0,0,0,0|2,0,0]=4 1146 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100011216346_100020667443 [0,2,0,0,0,0|1,0,1]=4 1147 B11R0.59 CCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100011216346 [0,2,0,0,0,0|1,0,1]=4 1148 B11R0.59 CCOC(=O)[C@H](C)OCC(=O)N 7a_100000751109_100000187820 [0,2,0,0,0,0|2,0,0]=4 1149 B11R0.59 CN(CCC(=O)N)C(=O)CCO 240690a_100000730477_100011216618 [0,2,0,0,0,0|2,0,0]=4 1150 B11R0.59 COCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 1151 B11R0.59 COCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 1152 B11R0.59 COCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210968 [0,2,0,0,0,0|2,0,0]=4 1153 B11R0.117 CCC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000742827 [0,2,0,0,0,0|2,0,0]=4 1154 B11R0.117 CNC(=O)C(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000209862 [0,2,0,0,0,0|2,0,0]=4 1155 B11R0.117 COC(=O)C(C)N[C@H](C)C(=O)N 2230a_100000119354_100000211248 [0,2,0,0,0,0|2,0,0]=4 1156 B11R0.117 COC(=O)C(C)N[C@H](C)C(=O)N 34a_100000119354_100000211248 [0,2,0,0,0,0|2,0,0]=4 1157 B11R0.117 COC(=O)C(C)OC(C)C(=O)C 34a_100000212229_100000211248 [0,2,0,0,0,0|2,0,0]=4 1158 B11R0.117 COC(=O)C(C)OC(C)C(=O)N 34a_100011215400_100000702099 [0,2,0,0,0,0|2,0,0]=4 1159 B11R0.117 COC(=O)C(C)OC(F)C(=O)N 34a_100011215400_100009813875 [0,2,0,0,0,0|2,0,0]=4 1160 B11R0.117 COC(=O)C(C)OC(F)C(=O)[O-] 34a_100011215400_100020610796 [0,2,0,0,0,0|1,0,1]=4 1161 B11R0.117 COC(=O)C(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000211248 [0,2,0,0,0,0|1,0,1]=4 1162 B11R0.117 COC(=O)C(C)O[C@H](C)C(=O)N 34a_100000731257_100000211248 [0,2,0,0,0,0|2,0,0]=4 1163 B11R0.117 COC(=O)C(C)O[C@H](C)C(=O)N 7a_100000731257_100000211248 [0,2,0,0,0,0|2,0,0]=4 1164 B11R0.117 COC(=O)C(C)SC(C)C(=O)C 62a_100000211248_100009814033 [0,2,0,0,0,0|2,0,0]=4 1165 B11R0.117 COC(=O)C(C)SC(C)C(=O)C 62a_100009814033_100000211248 [0,2,0,0,0,0|2,0,0]=4 1166 B11R0.117 COC(=O)C(C)SC(C)C(=O)N 62a_100000211248_100000702099 [0,2,0,0,0,0|2,0,0]=4 1167 B11R0.117 COC(=O)C(C)SC(C)C(=O)N 62a_100000702099_100000211248 [0,2,0,0,0,0|2,0,0]=4 1168 B11R0.117 COC(=O)C(C)SC(F)C(=O)N 62a_100000211248_100009813875 [0,2,0,0,0,0|2,0,0]=4 1169 B11R0.117 COC(=O)C(C)SC(F)C(=O)N 62a_100009813875_100000211248 [0,2,0,0,0,0|2,0,0]=4 1170 B11R0.117 COC(=O)C(C)SC(F)C(=O)[O-] 62a_100000211248_100020610796 [0,2,0,0,0,0|1,0,1]=4 1171 B11R0.117 COC(=O)C(C)SC(F)C(=O)[O-] 62a_100020610796_100000211248 [0,2,0,0,0,0|1,0,1]=4 1172 B11R0.118 CCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000235869 [0,2,0,0,0,0|2,0,0]=4 1173 B11R0.118 CCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000235869 [0,2,0,0,0,0|2,0,0]=4 1174 B11R0.118 CCC(OCC(=O)N)C(=O)OC 34a_100000695916_100000187820 [0,2,0,0,0,0|2,0,0]=4 1175 B11R0.118 CCC(OCC(=O)N)C(=O)OC 7a_100000695916_100000187820 [0,2,0,0,0,0|2,0,0]=4 1176 B11R0.118 CCC(OCC(=O)[O-])C(=O)OC 34a_100000695916_100020667443 [0,2,0,0,0,0|1,0,1]=4 1177 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000235869_100000747473 [0,2,0,0,0,0|2,0,0]=4 1178 B11R0.118 CCC(SCC(=O)N)C(=O)OC 62a_100000747473_100000235869 [0,2,0,0,0,0|2,0,0]=4 1179 B11R0.118 CCC(SCC(=O)[O-])C(=O)OC 62a_100000235869_100020667443 [0,2,0,0,0,0|1,0,1]=4 1180 B11R0.118 CCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_100000235869 [0,2,0,0,0,0|1,0,1]=4 1181 B11R0.118 CCN(CCC(=O)N)C(=O)CO 240690a_100020645749_100000210174 [0,2,0,0,0,0|2,0,0]=4 1182 B11R0.118 CCN(CCC(=O)N)C(=O)CO 527a_100020645749_100000210174 [0,2,0,0,0,0|2,0,0]=4 1183 B11R0.118 COC(=O)C(CN)OCC(=O)N 34a_100000695228_100000187820 [0,2,0,0,0,0|2,0,0]=4 1184 B11R0.118 COC(=O)C(CN)OCC(=O)[O-] 34a_100000695228_100020667443 [0,2,0,0,0,0|1,0,1]=4 1185 B11R0.118 COC(=O)C(CO)OCC(=O)C 34a_100000211253_100012276630 [0,2,0,0,0,0|2,0,0]=4 1186 B11R0.118 COC(=O)C(CO)SCC(=O)N 62a_100000747473_100012276630 [0,2,0,0,0,0|2,0,0]=4 1187 B11R0.118 COC(=O)C(CO)SCC(=O)N 62a_100012276630_100000747473 [0,2,0,0,0,0|2,0,0]=4 1188 B11R0.118 COC(=O)C(CO)SCC(=O)[O-] 62a_100012276630_100020667443 [0,2,0,0,0,0|1,0,1]=4 1189 B11R0.118 COC(=O)C(CO)SCC(=O)[O-] 62a_100020667443_100012276630 [0,2,0,0,0,0|1,0,1]=4 1190 B11R0.118 COC(=O)C(OC)OCC(=O)C 34a_100000211253_100000101307 [0,2,0,0,0,0|2,0,0]=4 1191 B11R0.118 COC(=O)C(OC)OCC(=O)N 34a_100000036821_100000187820 [0,2,0,0,0,0|2,0,0]=4 1192 B11R0.118 COC(=O)C(OC)OCC(=O)[O-] 34a_100000036821_100020667443 [0,2,0,0,0,0|1,0,1]=4 1193 B11R0.118 COC(=O)C(OC)SCC(=O)N 62a_100000101307_100000747473 [0,2,0,0,0,0|2,0,0]=4 1194 B11R0.118 COC(=O)C(OC)SCC(=O)N 62a_100000747473_100000101307 [0,2,0,0,0,0|2,0,0]=4 1195 B11R0.118 COC(=O)C(OC)SCC(=O)[O-] 62a_100000101307_100020667443 [0,2,0,0,0,0|1,0,1]=4 1196 B11R0.118 COC(=O)C(OC)SCC(=O)[O-] 62a_100020667443_100000101307 [0,2,0,0,0,0|1,0,1]=4 1197 B11R0.120 C#CC(=O)CCC(C)C(=O)OC 1458a_100000211873_100000034942 [0,2,0,0,0,0|1,0,0]=3 1198 B11R0.120 C=CC(=O)CCC(C)C(=O)OC 1458a_100000185746_100000034942 [0,2,0,0,0,0|1,0,0]=3 1199 B11R0.120 C=CC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000185746 [0,2,0,0,0,0|2,0,0]=4 1200 B11R0.120 C=CC(=O)N(C)CCC(=O)OC 240690a_100025711912_200121576911 [0,2,0,0,0,0|2,0,0]=4 1201 B11R0.120 CCC(=O)C(C)SCC(=O)OC 62a_100000742827_100000747449 [0,2,0,0,0,0|2,0,0]=4 1202 B11R0.120 CCC(=O)C(C)SCC(=O)OC 62a_100000747449_100000742827 [0,2,0,0,0,0|2,0,0]=4 1203 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,2,0,0,0,0|1,0,0]=3 1204 B11R0.120 CCC(=O)COC(C)C(=O)OC 34a_100000725409_100000211248 [0,2,0,0,0,0|2,0,0]=4 1205 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747405 [0,2,0,0,0,0|2,0,0]=4 1206 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000747405_100000211248 [0,2,0,0,0,0|2,0,0]=4 1207 B11R0.120 CCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 1208 B11R0.120 CCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 1209 B11R0.120 CCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 1210 B11R0.120 CCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000210414 [0,2,0,0,0,0|2,0,0]=4 1211 B11R0.120 CNC(=O)C(C)CNC(=O)CO 240690a_100015187722_100000210174 [0,2,0,0,0,0|2,0,0]=4 1212 B11R0.120 CNC(=O)C(C)CNC(=O)CO 527a_100015187722_100000210174 [0,2,0,0,0,0|2,0,0]=4 1213 B11R0.120 CNC(=O)C(C)SCC(=O)OC 62a_100000209862_100000747449 [0,2,0,0,0,0|2,0,0]=4 1214 B11R0.120 CNC(=O)C(C)SCC(=O)OC 62a_100000747449_100000731044 [0,2,0,0,0,0|2,0,0]=4 1215 B11R0.120 CNC(=O)CCN(C)C(=O)CO 240690a_100000750875_100000210174 [0,2,0,0,0,0|2,0,0]=4 1216 B11R0.120 CNC(=O)CCN(C)C(=O)CO 527a_100000750875_100000210174 [0,2,0,0,0,0|2,0,0]=4 1217 B11R0.120 CNC(=O)CNC(C)C(=O)OC 2230a_100000693194_100000211248 [0,2,0,0,0,0|2,0,0]=4 1218 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100000750040_100000211248 [0,2,0,0,0,0|2,0,0]=4 1219 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183359 [0,2,0,0,0,0|2,0,0]=4 1220 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000183359_100000211248 [0,2,0,0,0,0|2,0,0]=4 1221 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183359 [0,2,0,0,0,0|2,0,0]=4 1222 B11R0.120 CNC(=O)[C@@H](C)NCC(=O)OC 2230a_100000684985_100000747449 [0,2,0,0,0,0|2,0,0]=4 1223 B11R0.120 CNC(=O)[C@@H](C)NCC(=O)OC 34a_100000684985_100000747449 [0,2,0,0,0,0|2,0,0]=4 1224 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,2,0,0,0,0|0,0,0]=2 1225 B11R0.120 COC(=O)C(O)CNC(=O)CO 188690a_100000695228_100000210174 [0,2,0,0,0,0|2,0,0]=4 1226 B11R0.120 COC(=O)CCN(C)C(=O)CO 240690a_100025711912_100000210174 [0,2,0,0,0,0|1,0,0]=3 1227 B11R0.120 COC(=O)CCN(C)C(=O)CO 527a_100025711912_100000210174 [0,2,0,0,0,0|1,0,0]=3 1228 B11R0.120 COC(=O)COC(C)C(=O)NN 34a_100000725659_100000747449 [0,2,0,0,0,0|2,0,0]=4 1229 B11R0.120 COC(=O)COC(C)C(=O)OC 34a_100011215400_100000747449 [0,2,0,0,0,0|1,0,0]=3 1230 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747449 [0,2,0,0,0,0|1,0,0]=3 1231 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000747449_100000211248 [0,2,0,0,0,0|1,0,0]=3 1232 B11R0.90 C=C[C@H](NCC(=O)OC)C(=O)O 269956a_100016992060_100000747449 [0,2,0,0,0,0|1,0,1]=4 1233 B11R0.90 CCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747405 [0,2,0,0,0,0|2,0,0]=4 1234 B11R0.90 CCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747405 [0,2,0,0,0,0|2,0,0]=4 1235 B11R0.90 CCC(NCC(=O)OC)C(=O)N 2230a_100000733705_100000747449 [0,2,0,0,0,0|2,0,0]=4 1236 B11R0.90 CCC(NCC(=O)OC)C(=O)N 34a_100000733705_100000747449 [0,2,0,0,0,0|2,0,0]=4 1237 B11R0.90 CCC(SCC(=O)OC)C(=O)N 62a_100000747449_100000750255 [0,2,0,0,0,0|2,0,0]=4 1238 B11R0.90 CCC(SCC(=O)OC)C(=O)N 62a_100000750255_100000747449 [0,2,0,0,0,0|2,0,0]=4 1239 B11R0.90 CCN(CCC(=O)OC)C(=O)C 11a_100000229097_100015343762 [0,2,0,0,0,0|2,0,0]=4 1240 B11R0.90 CCN(CCC(=O)OC)C(=O)C 1626a_100000229097_100015343762 [0,2,0,0,0,0|2,0,0]=4 1241 B11R0.90 CCN(CCC(=O)OC)C(=O)C 240690a_100000229097_100015343762 [0,2,0,0,0,0|2,0,0]=4 1242 B11R0.90 CCN(CCC(=O)OC)C(=O)C 527a_100000229097_100103153847 [0,2,0,0,0,0|2,0,0]=4 1243 B11R0.90 CC[C@@H](NCC(=O)NC)C(=O)O 269956a_100000747097_100000183359 [0,2,0,0,0,0|2,0,0]=4 1244 B11R0.90 CC[C@@H](NCC(=O)OC)C(=O)O 269956a_100000747097_100000747449 [0,2,0,0,0,0|1,0,0]=3 1245 B11R0.90 CNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183359 [0,2,0,0,0,0|2,0,0]=4 1246 B11R0.90 COC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747449 [0,2,0,0,0,0|1,0,0]=3 1247 B11R0.90 COC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747449 [0,2,0,0,0,0|2,0,0]=4 1248 B11R0.90 COC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000747449 [0,2,0,0,0,0|2,0,0]=4 1249 B11R0.141 C=COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000036128 [0,2,0,0,0,0|1,0,0]=3 1250 B11R0.141 C=COC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000036128 [0,2,0,0,0,0|2,0,0]=4 1251 B11R0.141 C=COC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000036128 [0,2,0,0,0,0|2,0,0]=4 1252 B11R0.141 C=COC(=O)COC(C)C(=O)C 34a_100000212229_100000036128 [0,2,0,0,0,0|2,0,0]=4 1253 B11R0.141 C=COC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000036128 [0,2,0,0,0,0|2,0,0]=4 1254 B11R0.141 C=COC(=O)CSC(C)C(=O)C 62a_100000036128_100009814033 [0,2,0,0,0,0|2,0,0]=4 1255 B11R0.141 C=COC(=O)CSC(C)C(=O)C 62a_100009814033_100000036128 [0,2,0,0,0,0|2,0,0]=4 1256 B11R0.141 C=COC(=O)CSC(C)C(=O)N 62a_100000036128_100000702099 [0,2,0,0,0,0|2,0,0]=4 1257 B11R0.141 C=COC(=O)CSC(C)C(=O)N 62a_100000702099_100000036128 [0,2,0,0,0,0|2,0,0]=4 1258 B11R0.141 CC(=O)C(C)OCC(=O)NCO 34a_100000212229_100000185155 [0,2,0,0,0,0|2,0,0]=4 1259 B11R0.141 CC(=O)C(C)SCC(=O)NCO 62a_100000185155_100009814033 [0,2,0,0,0,0|2,0,0]=4 1260 B11R0.141 CC(=O)C(C)SCC(=O)NCO 62a_100009814033_100000185155 [0,2,0,0,0,0|2,0,0]=4 1261 B11R0.141 CC(=O)N(C)CCC(=O)CCO 1458a_100011216537_100000211926 [0,2,0,0,0,0|2,0,0]=4 1262 B11R0.141 CC(SCC(=O)NCO)C(=O)N 62a_100000185155_100000702099 [0,2,0,0,0,0|2,0,0]=4 1263 B11R0.141 CC(SCC(=O)NCO)C(=O)N 62a_100000702099_100000185155 [0,2,0,0,0,0|2,0,0]=4 1264 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,2,0,0,0,0|2,0,0]=4 1265 B11R0.141 CCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183381 [0,2,0,0,0,0|2,0,0]=4 1266 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,2,0,0,0,0|1,0,0]=3 1267 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 1268 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 1269 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,2,0,0,0,0|2,0,0]=4 1270 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,2,0,0,0,0|2,0,0]=4 1271 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,2,0,0,0,0|1,0,0]=3 1272 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000188475 [0,2,0,0,0,0|2,0,0]=4 1273 B11R0.141 CCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000188475 [0,2,0,0,0,0|2,0,0]=4 1274 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,2,0,0,0,0|2,0,0]=4 1275 B11R0.141 CCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000188475 [0,2,0,0,0,0|1,0,1]=4 1276 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000188475 [0,2,0,0,0,0|2,0,0]=4 1277 B11R0.141 CCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000188475 [0,2,0,0,0,0|2,0,0]=4 1278 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,2,0,0,0,0|2,0,0]=4 1279 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,2,0,0,0,0|2,0,0]=4 1280 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000188475_100000702099 [0,2,0,0,0,0|2,0,0]=4 1281 B11R0.141 CCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000188475 [0,2,0,0,0,0|2,0,0]=4 1282 B11R0.141 C[C@@H](NCC(=O)NCO)C(=O)N 2230a_100000119354_100000185155 [0,2,0,0,0,0|2,0,0]=4 1283 B11R0.141 C[C@@H](NCC(=O)NCO)C(=O)N 34a_100000119354_100000185155 [0,2,0,0,0,0|2,0,0]=4 1284 B11R0.141 C[C@@H](OCC(=O)NCO)C(=O)N 34a_100000731257_100000185155 [0,2,0,0,0,0|2,0,0]=4 1285 B11R0.141 C[C@@H](OCC(=O)NCO)C(=O)N 7a_100000731257_100000185155 [0,2,0,0,0,0|2,0,0]=4 1286 B11R0.141 C[C@H](NCC(=O)NCO)C(=O)O 269956a_100000743915_100000185155 [0,2,0,0,0,0|1,0,0]=3 1287 B11R0.141 C[C@H](OCC(=O)NCO)C(=O)[O-] 7a_217856618621_100000185155 [0,2,0,0,0,0|1,0,1]=4 1288 B11R0.28 CC(=O)C(NCC(=O)O)C(=O)C 269956a_100016091260_100000210371 [0,2,0,0,0,0|2,0,0]=4 1289 B11R0.28 CC(C)[C@@H](NCC(=O)N)C(=O)O 269956a_100000745019_100000187820 [0,2,0,0,0,0|2,0,0]=4 1290 B11R0.28 CC(C)[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000745019_100020667443 [0,2,0,0,0,0|1,0,1]=4 1291 B11R0.28 CC(O)C(NCC(=O)N)C(=O)O 269956a_100000185852_100000187820 [0,2,0,0,0,0|2,0,0]=4 1292 B11R0.28 CC(O)C(NCC(=O)[O-])C(=O)O 269956a_100000185852_100020667443 [0,2,0,0,0,0|1,0,1]=4 1293 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,2,0,0,0,0|2,0,0]=4 1294 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,2,0,0,0,0|1,0,1]=4 1295 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210202 [0,2,0,0,0,0|2,0,0]=4 1296 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210202 [0,2,0,0,0,0|2,0,0]=4 1297 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,2,0,0,0,0|2,0,0]=4 1298 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [0,2,0,0,0,0|2,0,0]=4 1299 B11R0.146 COC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100011998655_100020667443 [0,2,0,0,0,0|1,0,1]=4 1300 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,2,0,0,0,0|2,0,0]=4 1301 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [0,2,0,0,0,0|2,0,0]=4 1302 B11R0.146 CSC[C@H](NCC(=O)[O-])C(=O)O 269956a_100011421858_100020667443 [0,2,0,0,0,0|1,0,1]=4 1303 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,2,0,0,0,0|2,0,0]=4 1304 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [0,2,0,0,0,0|1,0,1]=4 1305 B11R0.146 NC(=O)CC[C@H](NCF)C(=O)N 34a_200000143477_100015361967 [0,2,0,0,0,0|2,0,0]=4 1306 B11R0.275 C=C[C@H](NC(C)C(=O)C)C(=O)O 269956a_100016992060_100009814033 [0,2,0,0,0,0|2,0,0]=4 1307 B11R0.275 CC(=O)C(C)NC(CO)C(=O)O 269956a_100000187304_100009814033 [0,2,0,0,0,0|2,0,0]=4 1308 B11R0.275 CCC(N[C@@H](C)C(=O)O)C(=O)N 269956a_100000743915_200011216081 [0,2,0,0,0,0|2,0,0]=4 1309 B11R0.275 CC[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100000747097_100009814033 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,1]=4 1311 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,1]=4 1312 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|2,0,0]=4 1313 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,1]=4 1314 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|2,0,0]=4 1315 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|2,0,0]=4 1316 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|1,0,1]=4 1317 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [1,0,0,1,0,0|2,0,0]=4 1318 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|2,0,0]=4 1319 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|2,0,0]=4 1320 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|1,0,1]=4 1321 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [1,0,0,1,0,0|2,0,0]=4 1322 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|2,0,0]=4 1323 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [1,0,0,1,0,0|2,0,0]=4 1324 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [1,0,0,1,0,0|2,0,0]=4 1325 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [1,0,0,1,0,0|1,0,1]=4 1326 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|2,0,0]=4 1327 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [1,0,0,1,0,0|1,0,1]=4 1328 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [1,0,0,1,0,0|2,0,0]=4 1329 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [1,0,0,1,0,0|1,0,1]=4 1330 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [1,0,0,1,0,0|1,0,1]=4 1331 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [1,0,0,1,0,0|1,0,1]=4 1332 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,0,1,0,0|2,0,0]=4 1333 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 1334 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 1335 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [0,0,0,1,0,1|2,0,0]=4 1336 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [0,0,0,1,0,1|2,0,0]=4 1337 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,0,0,1,0,1|2,0,0]=4 1338 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,1|2,0,0]=4 1339 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,1|2,0,0]=4 1340 B11R1.75 O=C([O-])CSC1COC(=O)O1 62a_100020667443_100000032252 [0,0,0,1,0,1|1,0,1]=4 1341 B11R1.152 CN(CC(=O)O)C1CC(=O)C1 269956a_100000746989_100009894365 [0,0,0,1,0,1|2,0,0]=4 1342 B11R1.153 CC(=O)C(C)SC1CC(=O)C1 62a_100009894365_100009814033 [0,0,0,1,0,1|2,0,0]=4 1343 B11R1.153 CC(SC1CC(=O)C1)C(=O)N 62a_100009894365_100000702099 [0,0,0,1,0,1|2,0,0]=4 1344 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [0,0,0,1,0,1|1,0,0]=3 1345 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,0,0,1,0,1|2,0,0]=4 1346 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,0,0,1,0,1|2,0,0]=4 1347 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [0,0,0,1,0,1|2,0,0]=4 1348 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [0,0,0,1,0,1|2,0,0]=4 1349 B11R1.161 NC(=O)CCOC1CCC1=O 34a_100000757172_100009892977 [0,0,0,1,0,1|2,0,0]=4 1350 B11R1.161 NC(=O)CCOC1CCC1=O 7a_100000757172_100009892977 [0,0,0,1,0,1|2,0,0]=4 1351 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100000744528_100009892977 [0,0,0,1,0,1|2,0,0]=4 1352 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100009892977_100000744528 [0,0,0,1,0,1|2,0,0]=4 1353 B11R1.161 O=C(O)CONC1CCC1=O 269956a_100000106656_100009892977 [0,0,0,1,0,1|2,0,0]=4 1354 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 11a_100000752358_100015343762 [0,0,0,1,0,1|2,0,0]=4 1355 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 240690a_100000752358_100015343762 [0,0,0,1,0,1|2,0,0]=4 1356 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 527a_100000752358_100103153847 [0,0,0,1,0,1|2,0,0]=4 1357 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,0,0,1,0,1|1,0,1]=4 1358 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,0,0,1,0,1|1,0,1]=4 1359 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,0,0,1,0,1|1,0,1]=4 1360 B11R1.141 CN(CC(=O)O)C1CCC1=O 269956a_100000746989_100009892977 [0,1,0,1,0,0|2,0,0]=4 1361 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,1,0,1,0,0|1,0,1]=4 1362 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,1,0,1,0,0|1,0,1]=4 1363 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,1,0,1,0,0|2,0,0]=4 1364 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [0,1,0,1,0,0|1,0,1]=4 1365 B11R1.220 CC(=O)C1(COC(=O)OC1)C 1458a_100000145666_200000210301 [0,1,0,1,0,0|2,0,0]=4 1366 B11R1.220 CC1(COC(=O)OC1)C(=O)[13CH3] 1458a_100000145666_200025704644 [0,1,0,1,0,0|2,0,0]=4 1367 B11R1.1391 CC(=O)C1(CC1)NCC(=O)O 269956a_100016091260_100000086384 [0,1,0,1,0,0|2,0,0]=4 1368 B11R1.1391 NC(=O)CNC1(CC1)C(=O)O 269956a_100000746478_100000187820 [0,1,0,1,0,0|2,0,0]=4 1369 B11R1.1391 O=C([O-])CNC1(CC1)C(=O)O 269956a_100000746478_100020667443 [0,1,0,1,0,0|1,0,1]=4 1370 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,1,0,0|2,0,0]=4 1371 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,1,0,1,0,0|2,0,0]=4 1372 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 1373 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 1374 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,1,0,1,0,0|2,0,0]=4 1375 B11R1.22 O=C1CCC(CN1)C(=O)CF 1458a_100000740907_100015361967 [0,1,0,1,0,0|2,0,0]=4 1376 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|1,0,0]=3 1377 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,1,0,1,0,0|2,0,0]=4 1378 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,1,0,1,0,0|2,0,0]=4 1379 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,1,0,1,0,0|2,0,0]=4 1380 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 2230a_100000765999_100000747473 [0,1,0,1,0,0|2,0,0]=4 1381 B11R1.90 NC(=O)CN[C@@H]1CONC1=O 34a_100000765999_100000187820 [0,1,0,1,0,0|2,0,0]=4 1382 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000211211_100000747473 [0,1,0,1,0,0|2,0,0]=4 1383 B11R1.90 NC(=O)CSC1CCOC1=O 62a_100000747473_100000211211 [0,1,0,1,0,0|2,0,0]=4 1384 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,1,0,1,0,0|2,0,0]=4 1385 B11R1.90 O=C([O-])CN[C@@H]1CONC1=O 34a_100000765999_100020667443 [0,1,0,1,0,0|1,0,1]=4 1386 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100000211211_100020667443 [0,1,0,1,0,0|1,0,1]=4 1387 B11R1.90 O=C([O-])CSC1CCOC1=O 62a_100020667443_100000211211 [0,1,0,1,0,0|1,0,1]=4 1388 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|1,0,0]=3 1389 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,1,0,1,0,0|2,0,0]=4 1390 B11R1.849 COC(=O)C1CN1CC(=O)N 2230a_200009830135_100000747473 [0,1,0,1,0,0|2,0,0]=4 1391 B11R1.853 COC(=O)C1CC(C1)C(=O)C 1458a_100000070787_100009897219 [0,1,0,1,0,0|1,0,0]=3 1392 B11R1.853 COC(=O)C1CN(C1)C(=O)C 240690a_100015188540_100015343762 [0,1,0,1,0,0|2,0,0]=4 1393 B11R1.853 NC(=O)C1CN(C1)C(=O)CO 240690a_100025753142_100000210174 [0,1,0,1,0,0|2,0,0]=4 1394 B11R1.853 NC(=O)C1CN(C1)C(=O)CO 527a_100025753142_100000210174 [0,1,0,1,0,0|2,0,0]=4 1395 B11R1.142 C[C@H](NC1CCC1=O)C(=O)O 269956a_100000743915_100009892977 [0,1,0,1,0,0|2,0,0]=4 1396 B11R1.223 C#CC(=O)CCC1CCC1=O 1458a_100000211873_200016118888 [0,1,0,1,0,0|2,0,0]=4 1397 B11R1.223 C=CC(=O)CCC1CCC1=O 1458a_100000185746_200016118888 [0,1,0,1,0,0|2,0,0]=4 1398 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|2,0,0]=4 1399 B11R1.223 COC(=O)CSC1CCC1=O 62a_100000747449_100009892977 [0,1,0,1,0,0|2,0,0]=4 1400 B11R1.223 COC(=O)CSC1CCC1=O 62a_100009892977_100000747449 [0,1,0,1,0,0|2,0,0]=4 1401 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,0]=3 1402 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,0,0,1,0|2,0,0]=4 1403 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,0,0,1,0|2,0,0]=4 1404 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,1,0|1,0,1]=4 1405 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,2,0|2,0,0]=4 1406 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,2,0|2,0,0]=4 1407 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,0,0,0,0,1|2,0,0]=4 1408 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [1,0,0,0,0,1|2,0,0]=4 1409 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [1,0,0,0,0,1|2,0,0]=4 1410 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,0,0,0,0,1|1,0,1]=4 1411 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,1|2,0,0]=4 1412 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,1|2,0,0]=4 1413 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,1|2,0,0]=4 1414 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,1|2,0,0]=4 1415 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,1|2,0,0]=4 1416 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|1,0,0]=3 1417 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,1|2,0,0]=4 1418 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 1419 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 1420 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,1|1,0,1]=4 1421 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,1|2,0,0]=4 1422 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,1|2,0,0]=4 1423 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,1|2,0,0]=4 1424 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,1|1,0,1]=4 1425 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,1|1,0,1]=4 1426 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,1|2,0,0]=4 1427 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,1|2,0,0]=4 1428 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,1|2,0,0]=4 1429 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,1|2,0,0]=4 1430 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 1431 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,1|1,0,1]=4 1432 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,0,0,0,0,1|2,0,0]=4 1433 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|1,0,0]=3 1434 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,0,0,0,0,1|2,0,0]=4 1435 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,0,0,0,0,1|2,0,0]=4 1436 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,0,0,0,0,1|1,0,1]=4 1437 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,0,0,0,0,1|2,0,0]=4 1438 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,0,0,0,0,1|2,0,0]=4 1439 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,0,0,0,0,1|1,0,1]=4 1440 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,0,0,0,0,1|1,0,1]=4 1441 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,1|2,0,0]=4 1442 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,1|1,0,1]=4 1443 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,1|2,0,0]=4 1444 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,0,0,0,0,2|2,0,0]=4 1445 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100000053229_100009818208 [0,0,0,0,0,2|2,0,0]=4 1446 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000053229 [0,0,0,0,0,2|2,0,0]=4 1447 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,0,0,0,0,2|2,0,0]=4 1448 B11R0.6 CC(=O)OC(C)NOCC(=O)O 269956a_100000106656_100009818208 [0,0,0,0,0,2|2,0,0]=4 1449 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100000744528_100009818208 [0,0,0,0,0,2|2,0,0]=4 1450 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100009818208_100000744528 [0,0,0,0,0,2|2,0,0]=4 1451 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,0,0,0,0,2|2,0,0]=4 1452 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,0,0,0,0,2|2,0,0]=4 1453 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [0,0,0,0,0,2|2,0,0]=4 1454 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [0,0,0,0,0,2|1,0,1]=4 1455 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,0,0,0,0,2|2,0,0]=4 1456 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,0,0,0,0,2|2,0,0]=4 1457 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,0,0,0,0,2|1,0,1]=4 1458 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,0,0,0,0,2|2,0,0]=4 1459 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [0,0,0,0,0,2|2,0,0]=4 1460 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [0,0,0,0,0,2|2,0,0]=4 1461 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,0,0,0,0,2|2,0,0]=4 1462 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,0,0,0,0,2|2,0,0]=4 1463 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,0,0,0,0,2|2,0,0]=4 1464 B11R0.29 CC(=O)C(C)OCCOC(=O)N 34a_100000212229_200011214921 [0,0,0,0,0,2|2,0,0]=4 1465 B11R0.29 CC(=O)C(C)OCCOC(=O)N 7a_100000766696_100000179758 [0,0,0,0,0,2|2,0,0]=4 1466 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,0,0,0,0,2|2,0,0]=4 1467 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,0,0,0,0,2|2,0,0]=4 1468 B11R0.29 CC(=O)C(C)SCCNC(=O)N 62a_100009814033_200000034859 [0,0,0,0,0,2|2,0,0]=4 1469 B11R0.29 CC(=O)C(C)SCCNC(=O)N 62a_200000034859_100009814033 [0,0,0,0,0,2|2,0,0]=4 1470 B11R0.29 CC(=O)C(C)SCCOC(=O)N 62a_100009814033_200011214921 [0,0,0,0,0,2|2,0,0]=4 1471 B11R0.29 CC(=O)C(C)SCCOC(=O)N 62a_200011214921_100009814033 [0,0,0,0,0,2|2,0,0]=4 1472 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,0,0,0,0,2|1,0,0]=3 1473 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,0,0,0,0,2|2,0,0]=4 1474 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,0,0,0,0,2|2,0,0]=4 1475 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,0,0,0,0,2|2,0,0]=4 1476 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,0,0,0,0,2|2,0,0]=4 1477 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,0,0,0,0,2|2,0,0]=4 1478 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,0,0,0,0,2|1,0,1]=4 1479 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,0,0,0,0,2|2,0,0]=4 1480 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,0,0,0,0,2|2,0,0]=4 1481 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,0,0,0,0,2|2,0,0]=4 1482 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,0,0,0,0,2|2,0,0]=4 1483 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,0,0,0,0,2|2,0,0]=4 1484 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,0,0,0,0,2|2,0,0]=4 1485 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,0,0,0,0,2|1,0,0]=3 1486 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,0,0,0,0,2|2,0,0]=4 1487 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,0,0,0,0,2|2,0,0]=4 1488 B11R0.29 CC(=O)NCCNC(C)C(=O)C 2230a_100000209853_100009814033 [0,0,0,0,0,2|2,0,0]=4 1489 B11R0.29 CC(=O)NCCNC(C)C(=O)N 2230a_100000209853_100000702099 [0,0,0,0,0,2|2,0,0]=4 1490 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,0,0,0,0,2|1,0,0]=3 1491 B11R0.29 CC(=O)NCCN[C@H](C)C(=O)N 2230a_100000119354_100000189650 [0,0,0,0,0,2|2,0,0]=4 1492 B11R0.29 CC(=O)NCCOC(C)C(=O)N 34a_100000158858_100000702099 [0,0,0,0,0,2|2,0,0]=4 1493 B11R0.29 CC(=O)NCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000189650 [0,0,0,0,0,2|1,0,1]=4 1494 B11R0.29 CC(=O)NCCO[C@H](C)C(=O)N 7a_100000731257_100000189650 [0,0,0,0,0,2|2,0,0]=4 1495 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100000189650_100009814033 [0,0,0,0,0,2|2,0,0]=4 1496 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100009814033_100000189650 [0,0,0,0,0,2|2,0,0]=4 1497 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000189650_100000702099 [0,0,0,0,0,2|2,0,0]=4 1498 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000702099_100000189650 [0,0,0,0,0,2|2,0,0]=4 1499 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,0,0,0,0,2|1,0,0]=3 1500 B11R0.29 CC(=O)OCCN[C@H](C)C(=O)N 34a_100000119354_100009814007 [0,0,0,0,0,2|2,0,0]=4 1501 B11R0.29 CC(=O)OCCOC(C)C(=O)C 34a_100000212229_100009814007 [0,0,0,0,0,2|2,0,0]=4 1502 B11R0.29 CC(=O)OCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009814007 [0,0,0,0,0,2|1,0,1]=4 1503 B11R0.29 CC(=O)OCCO[C@H](C)C(=O)N 34a_100000731257_100009814007 [0,0,0,0,0,2|2,0,0]=4 1504 B11R0.29 CC(=O)OCCO[C@H](C)C(=O)N 7a_100000731257_100009814007 [0,0,0,0,0,2|2,0,0]=4 1505 B11R0.29 CC(=O)OCCSC(C)C(=O)C 62a_100009814007_100009814033 [0,0,0,0,0,2|2,0,0]=4 1506 B11R0.29 CC(=O)OCCSC(C)C(=O)C 62a_100009814033_100009814007 [0,0,0,0,0,2|2,0,0]=4 1507 B11R0.29 CC(=O)OCCSC(C)C(=O)N 62a_100000702099_100009814007 [0,0,0,0,0,2|2,0,0]=4 1508 B11R0.29 CC(=O)OCCSC(C)C(=O)N 62a_100009814007_100000702099 [0,0,0,0,0,2|2,0,0]=4 1509 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,0,0,0,0,2|1,0,0]=3 1510 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,0,0,0,0,2|2,0,0]=4 1511 B11R0.29 CC(=O)OCOCC(C)C(=O)C 34a_100000032740_100009813279 [0,0,0,0,0,2|2,0,0]=4 1512 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,0,0,0,0,2|1,0,0]=3 1513 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,0,0,0,0,2|2,0,0]=4 1514 B11R0.29 CC(NCCNC(=O)N)C(=O)N 34a_100020590234_100000702099 [0,0,0,0,0,2|2,0,0]=4 1515 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,0,0,0,0,2|1,0,1]=4 1516 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,0,0,0,0,2|1,0,1]=4 1517 B11R0.29 CC(OCCNC(=O)N)C(=O)N 34a_100000181757_100000702099 [0,0,0,0,0,2|2,0,0]=4 1518 B11R0.29 CC(OCCOC(=O)N)C(=O)N 7a_100000766696_100000702099 [0,0,0,0,0,2|2,0,0]=4 1519 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,0,0,0,0,2|2,0,0]=4 1520 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,0,0,0,0,2|2,0,0]=4 1521 B11R0.29 CC(SCCNC(=O)N)C(=O)N 62a_100000702099_200000034859 [0,0,0,0,0,2|2,0,0]=4 1522 B11R0.29 CC(SCCNC(=O)N)C(=O)N 62a_200000034859_100000702099 [0,0,0,0,0,2|2,0,0]=4 1523 B11R0.29 CC(SCCOC(=O)N)C(=O)N 62a_100000702099_200011214921 [0,0,0,0,0,2|2,0,0]=4 1524 B11R0.29 CC(SCCOC(=O)N)C(=O)N 62a_200011214921_100000702099 [0,0,0,0,0,2|2,0,0]=4 1525 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,0,0,0,0,2|2,0,0]=4 1526 B11R0.29 C[C@@H](NCCNC(=O)N)C(=O)N 2230a_100000119354_200000034859 [0,0,0,0,0,2|2,0,0]=4 1527 B11R0.29 C[C@@H](NCCOC(=O)N)C(=O)N 34a_100000119354_200011214921 [0,0,0,0,0,2|2,0,0]=4 1528 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,0,0,0,0,2|2,0,0]=4 1529 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,0,0,0,0,2|2,0,0]=4 1530 B11R0.29 C[C@@H](OCCNC(=O)N)C(=O)N 7a_100000731257_200000034859 [0,0,0,0,0,2|2,0,0]=4 1531 B11R0.29 C[C@@H](OCCOC(=O)N)C(=O)N 34a_100000731257_200011214921 [0,0,0,0,0,2|2,0,0]=4 1532 B11R0.29 C[C@@H](OCCOC(=O)N)C(=O)N 7a_100000731257_200011214921 [0,0,0,0,0,2|2,0,0]=4 1533 B11R0.29 C[C@H](NCCC=C(F)F)C(=O)O 269956a_100000743915_200009816681 [0,0,0,0,0,2|2,0,0]=4 1534 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,0,0,0,0,2|1,0,0]=3 1535 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,0,0,0,0,2|1,0,0]=3 1536 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,0,0,0,0,2|1,0,1]=4 1537 B11R0.29 C[C@H](OCCNC(=O)N)C(=O)[O-] 7a_217856618621_200000034859 [0,0,0,0,0,2|1,0,1]=4 1538 B11R0.29 C[C@H](OCCOC(=O)N)C(=O)[O-] 7a_217856618621_200011214921 [0,0,0,0,0,2|1,0,1]=4 1539 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,0,0,0,0,2|2,0,0]=4