0 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000225649_100000747473 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000739694_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.53 C=C(C)CN(C)CC(=O)N 269982a_100000225649_100000187820 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.53 C=C(C)CN(C)CC(=O)[O-] 269982a_100000225649_100020667443 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.53 C=C(F)CN(C)CC(=O)N 2230a_100000739694_100009893438 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,0,0,0,0,0|1,0,1]=2 19 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [1,0,0,0,0,0|2,0,1]=4 26 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,0,0,0,0,0|1,0,1]=3 58 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,0|3,0,0]=4 74 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|3,0,0]=4 78 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|1,0,1]=3 91 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [1,0,0,0,0,0|1,0,2]=4 92 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 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 96 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 97 B10R0.13 CC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100009814033 [0,1,0,0,0,0|3,0,0]=4 98 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,1,0,0,0,0|2,0,0]=3 99 B10R0.13 CC(C(=O)N)N(C)CC(=O)N 2230a_100000739694_100000702099 [0,1,0,0,0,0|3,0,0]=4 100 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,0,0|2,0,0]=3 101 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,0,0|1,0,1]=3 102 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]=4 103 B10R0.13 CC(C(=O)O)N(C)C[N+](=O)[O-] 269956a_100000749554_100000761209 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,1,0,0,0,0|2,0,1]=4 105 B10R0.13 CN(CC(=O)N)C(F)C(=O)N 2230a_100000739694_100009813875 [0,1,0,0,0,0|3,0,0]=4 106 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.31 CN(CC(=O)O)CS(=O)(=O)N 269956a_100000746989_100000741382 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.31 CN(CC(=O)O)CS(=O)(=O)[O-] 269956a_100000746989_100009817235 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.44 C=C(C#N)CN(C)CC(=O)O 269956a_100000746989_100000694840 [0,1,0,0,0,0|3,0,0]=4 110 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000198492_100000748629 [0,1,0,0,0,0|3,0,0]=4 111 B10R0.44 C=C(C)CN(C)CC(=O)OC 2230a_100000225649_100000747449 [0,1,0,0,0,0|3,0,0]=4 112 B10R0.44 C=C(C)CN(C)CC(=O)OC 269982a_100000225649_100000747449 [0,1,0,0,0,0|3,0,0]=4 113 B10R0.44 C=C(F)CN(C)CC(=O)OC 2230a_100000198492_100009893438 [0,1,0,0,0,0|3,0,0]=4 114 B10R0.44 C=CC(O)CN(C)CC(=O)O 269956a_100000746989_100000730141 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,0|2,0,0]=3 116 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000189611_100000747473 [0,1,0,0,0,0|3,0,0]=4 121 B10R0.44 CNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000183359 [0,1,0,0,0,0|3,0,0]=4 122 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,1,0,0,0,0|2,0,0]=3 123 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,1,0,0,0,0|1,0,2]=4 126 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,0,0,0,0|1,0,0]=2 127 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,0,0,0,0|1,0,0]=2 128 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000198492_100000747473 [0,1,0,0,0,0|2,0,0]=3 129 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747449 [0,1,0,0,0,0|2,0,0]=3 130 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,0|1,0,0]=2 131 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,1,0,0,0,0|2,0,1]=4 135 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,1,0,0,0,0|2,0,0]=3 136 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,0|2,0,1]=4 137 B10R0.70 C=C(C)CN(CC)CC(=O)O 269956a_100000746405_100000748629 [0,1,0,0,0,0|3,0,0]=4 138 B10R0.70 C=C(F)CN(CC)CC(=O)O 269956a_100000746405_100000042424 [0,1,0,0,0,0|3,0,0]=4 139 B10R0.70 CCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210202 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [0,1,0,0,0,0|2,0,0]=3 141 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [0,1,0,0,0,0|2,0,1]=4 142 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [0,1,0,0,0,0|2,0,1]=4 143 B10R0.70 CCN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746405_100000761209 [0,1,0,0,0,0|2,0,1]=4 144 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [0,1,0,0,0,0|1,0,1]=3 145 B10R0.70 NC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000187820 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.70 O=C([O-])CN(CO)CC(=O)[O-] 269956a_100016989150_100020667443 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 11a_100000763158_100015343762 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 1626a_100000763158_100015343762 [0,1,0,0,0,0|3,0,0]=4 149 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 240690a_100000763158_100015343762 [0,1,0,0,0,0|3,0,0]=4 150 B10R0.165 CC(=O)NC(C)(C)CC(=O)N 527a_100000763158_100103153847 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,0|3,0,0]=4 152 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,0|2,0,0]=3 154 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,0|3,0,0]=4 155 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,0|2,0,0]=3 156 B10R1.54 CC(=O)NC1CNC(=O)C1 11a_100000697751_100015343762 [0,0,0,1,0,0|3,0,0]=4 157 B10R1.54 CC(=O)NC1CNC(=O)C1 1626a_100000697751_100015343762 [0,0,0,1,0,0|3,0,0]=4 158 B10R1.54 CC(=O)NC1CNC(=O)C1 240690a_100000697751_100015343762 [0,0,0,1,0,0|3,0,0]=4 159 B10R1.54 CC(=O)NC1CNC(=O)C1 527a_100000697751_100103153847 [0,0,0,1,0,0|3,0,0]=4 160 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,0|3,0,0]=4 161 B10R1.54 NC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747473 [0,0,0,1,0,0|3,0,0]=4 162 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,0|3,0,0]=4 163 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,0,0,1,0,0|2,0,1]=4 165 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,0,0,1,0,0|2,0,1]=4 168 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,0,0,1,0|3,0,0]=4 169 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,0,0,1,0|3,0,0]=4 170 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,1,0|3,0,0]=4 171 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,1,0|3,0,0]=4 172 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,0,0,1,0|3,0,0]=4 173 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,0,0,1,0|3,0,0]=4 174 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,0,0,1,0|3,0,0]=4 175 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,0,0,1,0|3,0,0]=4 176 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,0,0,1,0|3,0,0]=4 177 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,0,0,1,0|3,0,0]=4 178 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,0,0,1,0|3,0,0]=4 179 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,0,0,1,0|3,0,0]=4 180 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,0,0,1,0|3,0,0]=4 181 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,0,0,1,0|3,0,0]=4 182 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,0,0,0,0,1|3,0,0]=4 183 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,0,0,0,0,1|3,0,0]=4 184 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,0,1|2,0,0]=3 185 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,1|2,0,0]=3 186 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,1|2,0,0]=3 187 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,0,0,0,0,1|3,0,0]=4 188 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,0,0,0,0,1|3,0,0]=4 189 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100009818208_100020667443 [0,0,0,0,0,1|2,0,1]=4 190 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100020667443_100009818208 [0,0,0,0,0,1|2,0,1]=4 191 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,0,1|2,0,0]=3 192 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,0,0,0,0,1|2,0,1]=4 193 B10R0.96 CC(CN(C)C)NCC(=O)O 269956a_100016091260_100020606517 [0,0,0,0,0,1|3,0,0]=4 194 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,0,0,0,0,1|2,0,1]=4 195 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [0,0,0,0,0,1|3,0,0]=4 196 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [0,0,0,0,0,1|3,0,0]=4 197 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,0,1|2,0,0]=3 198 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [2,0,0,0,0,0|1,0,1]=4 199 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [2,0,0,0,0,0|1,0,1]=4 200 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [2,0,0,0,0,0|1,0,0]=3 201 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [2,0,0,0,0,0|2,0,0]=4 202 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [2,0,0,0,0,0|2,0,0]=4 203 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [2,0,0,0,0,0|1,0,1]=4 204 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [2,0,0,0,0,0|1,0,1]=4 205 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [2,0,0,0,0,0|1,0,1]=4 206 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [2,0,0,0,0,0|1,0,1]=4 207 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [2,0,0,0,0,0|1,0,1]=4 208 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [2,0,0,0,0,0|1,0,1]=4 209 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [2,0,0,0,0,0|1,0,1]=4 210 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [2,0,0,0,0,0|2,0,0]=4 211 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [2,0,0,0,0,0|1,0,1]=4 212 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [2,0,0,0,0,0|1,0,1]=4 213 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|2,0,0]=4 214 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|2,0,0]=4 215 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|2,0,0]=4 216 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 217 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 218 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 219 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 220 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 221 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|2,0,0]=4 222 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|2,0,0]=4 223 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,1]=4 224 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 225 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 226 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 227 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [2,0,0,0,0,0|2,0,0]=4 229 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [2,0,0,0,0,0|2,0,0]=4 230 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [2,0,0,0,0,0|1,0,1]=4 231 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [2,0,0,0,0,0|1,0,1]=4 232 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [1,1,0,0,0,0|2,0,0]=4 233 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,1,0,0,0,0|2,0,0]=4 234 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [1,1,0,0,0,0|2,0,0]=4 235 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [1,1,0,0,0,0|2,0,0]=4 236 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,1,0,0,0,0|1,0,1]=4 237 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,1,0,0,0,0|1,0,1]=4 238 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [1,1,0,0,0,0|1,0,0]=3 240 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [1,1,0,0,0,0|1,0,1]=4 241 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [1,1,0,0,0,0|1,0,1]=4 242 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [1,1,0,0,0,0|1,0,1]=4 243 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [1,1,0,0,0,0|2,0,0]=4 244 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [1,1,0,0,0,0|2,0,0]=4 245 B9R0.14 C=CCN(CF)CC(=O)O 269956a_100000744315_100015361967 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [1,1,0,0,0,0|1,0,0]=3 247 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.14 O=CCN(CO)CC(=O)[O-] 269956a_100016989150_200015260668 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [1,1,0,0,0,0|1,0,1]=4 253 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [1,1,0,0,0,0|2,0,0]=4 254 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [1,1,0,0,0,0|2,0,0]=4 255 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [1,1,0,0,0,0|2,0,0]=4 256 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,1,0,0,0,0|1,0,1]=4 257 B9R0.34 CNC(=O)CN(C)CC=O 2230a_100000189611_200015260668 [1,1,0,0,0,0|2,0,0]=4 258 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [1,1,0,0,0,0|1,0,0]=3 259 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [1,1,0,0,0,0|1,0,1]=4 260 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [1,1,0,0,0,0|1,0,1]=4 261 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [1,1,0,0,0,0|1,0,1]=4 262 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [1,1,0,0,0,0|1,0,1]=4 263 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [1,1,0,0,0,0|1,0,1]=4 264 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,1,0,0,0,0|2,0,0]=4 265 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|2,0,0]=4 267 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,1,0,0,0,0|2,0,0]=4 268 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,0]=3 269 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 270 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,1]=4 272 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|2,0,0]=4 273 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 275 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|2,0,0]=4 276 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,1,0,0,0,0|2,0,0]=4 277 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,0]=3 278 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,0]=3 279 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,0]=3 280 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 281 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,1,0,0,0,0|2,0,0]=4 282 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|1,0,0]=3 283 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|2,0,0]=4 284 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|2,0,0]=4 285 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,1,0,0,0,0|2,0,0]=4 286 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|1,0,0]=3 291 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 293 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [1,1,0,0,0,0|2,0,0]=4 294 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,1,0,0,0,0|1,0,1]=4 298 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,1,0,0,1,0|2,0,0]=4 299 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,1,0|2,0,0]=4 300 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,1,0|2,0,0]=4 301 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,1,0,0,1,0|2,0,0]=4 302 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,1,0|1,0,0]=3 303 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,1,0|1,0,0]=3 304 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,1,0|2,0,0]=4 305 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,1,0|2,0,0]=4 306 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,1,0|2,0,0]=4 307 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,1,0|2,0,0]=4 308 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,1,0,0,1,0|2,0,0]=4 309 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,1,0,0,1,0|2,0,0]=4 310 B11R0.33 CC(=O)C(=O)CN(C)CC(=O)O 269956a_100000746989_100011261029 [0,1,0,0,0,1|2,0,0]=4 311 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]=4 312 B11R0.93 C#CC(=O)CC(C)CSC(=O)C 1458a_100000211873_200000116872 [0,1,0,0,0,1|2,0,0]=4 313 B11R0.93 C=C(C)COC(C)CC(=O)OC 34a_100000210245_100009817358 [0,1,0,0,0,1|2,0,0]=4 314 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100000748629_100009817358 [0,1,0,0,0,1|2,0,0]=4 315 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100009817358_100000211660 [0,1,0,0,0,1|2,0,0]=4 316 B11R0.93 C=C(F)COC(C)CC(=O)OC 34a_200010262243_100009817358 [0,1,0,0,0,1|2,0,0]=4 317 B11R0.93 C=C(F)CSC(C)CC(=O)OC 62a_100000042424_100009817358 [0,1,0,0,0,1|2,0,0]=4 318 B11R0.93 C=C(F)CSC(C)CC(=O)OC 62a_100009817358_100000042424 [0,1,0,0,0,1|2,0,0]=4 319 B11R0.93 C=CC(=O)CC(C)CSC(=O)C 1458a_100000185746_200000116872 [0,1,0,0,0,1|2,0,0]=4 320 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,0,0,0,1|1,0,0]=3 321 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,1,0,0,0,1|2,0,0]=4 322 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,1,0,0,0,1|1,0,0]=3 323 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,1,0,0,0,1|0,0,0]=2 324 B11R0.93 COC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817358 [0,1,0,0,0,1|1,0,1]=4 325 B11R0.93 COC(=O)CC(C)NCC(C)O 34a_100000210904_100009817358 [0,1,0,0,0,1|1,0,1]=4 326 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,0,1|1,0,0]=3 327 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,1,0,0,0,1|1,0,0]=3 328 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,1,0,0,0,1|1,0,0]=3 329 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [0,1,0,0,0,1|0,0,1]=3 330 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [0,1,0,0,0,1|0,0,1]=3 331 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100009817358_100011218427 [0,1,0,0,0,1|1,0,1]=4 332 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100011218427_100009817358 [0,1,0,0,0,1|1,0,1]=4 333 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817358_100009817552 [0,1,0,0,0,1|1,0,1]=4 334 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817358 [0,1,0,0,0,1|1,0,1]=4 335 B11R0.93 COC(=O)CC(C)SC[N+](=O)[O-] 62a_100009817358_100000761209 [0,1,0,0,0,1|1,0,1]=4 336 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,1,0,0,0,1|2,0,0]=4 337 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [0,1,0,0,0,1|2,0,0]=4 338 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [0,1,0,0,0,1|2,0,0]=4 339 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,1,0,0,0,1|2,0,0]=4 340 B11R0.107 COC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000204255 [0,1,0,0,0,1|2,0,0]=4 341 B11R0.107 COC(=O)CCN(C)CC(=O)N 269982a_100025711912_100000187820 [0,1,0,0,0,1|2,0,0]=4 342 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,1,0,0,0,1|1,0,0]=3 343 B11R0.107 COC(=O)CCN(C)CC(=O)[O-] 269982a_100025711912_100020667443 [0,1,0,0,0,1|1,0,1]=4 344 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100000747449_100009818208 [0,1,0,0,0,1|2,0,0]=4 345 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747449 [0,1,0,0,0,1|2,0,0]=4 346 B11R0.143 C=C(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748629 [0,1,0,0,0,1|2,0,0]=4 347 B11R0.143 C=C(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748629 [0,1,0,0,0,1|2,0,0]=4 348 B11R0.143 C=C(F)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000042424 [0,1,0,0,0,1|2,0,0]=4 349 B11R0.143 C=C(F)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000042424 [0,1,0,0,0,1|2,0,0]=4 350 B11R0.143 CC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218427 [0,1,0,0,0,1|1,0,1]=4 351 B11R0.143 CCN(CCC(=O)C)CC(=O)O 269956a_100000746405_100000053229 [0,1,0,0,0,1|2,0,0]=4 352 B11R0.143 CCN(CCC(=O)N)CC(=O)O 269956a_100000746405_100000744528 [0,1,0,0,0,1|2,0,0]=4 353 B11R0.143 CCN(COC(=O)C)CC(=O)O 269956a_100000746405_100000076356 [0,1,0,0,0,1|2,0,0]=4 354 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,1,0,0,0,1|1,0,0]=3 355 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,1,0,0,0,1|0,0,1]=3 356 B11R0.143 CC[C@H](CC(=O)O)NCC(C)O 269956a_100016995926_100011218427 [0,1,0,0,0,1|1,0,1]=4 357 B11R0.143 CC[C@H](CC(=O)O)NC[C@@H](C)O 269956a_100016995926_100009817552 [0,1,0,0,0,1|1,0,1]=4 358 B11R0.143 CC[C@H](CC(=O)O)NC[N+](=O)[O-] 269956a_100016995926_100000761209 [0,1,0,0,0,1|1,0,1]=4 359 B11R0.143 C[C@@H](O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100009817552 [0,1,0,0,0,1|1,0,1]=4 360 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,1,0,0,0,1|1,0,0]=3 361 B11R0.143 O=C(O)C[C@@H](CO)NC[N+](=O)[O-] 269956a_100009816507_100000761209 [0,1,0,0,0,1|1,0,1]=4 362 B11R0.143 O=C([O-])CN[C@H](CO)CC(=O)O 269956a_100009816507_100020667443 [0,1,0,0,0,1|0,0,1]=3 363 B11R0.149 CC(=O)OC(C)N(C)CC(=O)O 269956a_100000746989_100009818208 [0,1,0,0,0,1|2,0,0]=4 364 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,1,0,0,0,1|2,0,0]=4 365 B11R0.173 CC(=O)OCN(C)C(C)C(=O)O 269956a_100000749554_100000076356 [0,1,0,0,0,1|2,0,0]=4 366 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,1,0,0,0,1|2,0,0]=4 367 B11R0.173 C[C@@H](OCC(=O)N)[C@H](N)C(=O)N 34a_100000003557_100000187820 [0,1,0,0,0,1|2,0,0]=4 368 B11R0.173 C[C@@H](OCC(=O)[O-])[C@H](N)C(=O)N 34a_100000003557_100020667443 [0,1,0,0,0,1|1,0,1]=4 369 B11R0.232 C=C(C)CNC(C)(C)CC(=O)O 269956a_100000755897_100000748629 [0,1,0,0,0,1|2,0,0]=4 370 B11R0.232 C=C(F)CNC(C)(C)CC(=O)O 269956a_100000755897_100000042424 [0,1,0,0,0,1|2,0,0]=4 371 B11R0.232 CC(=O)CC(C)(C)OCC(=O)N 7a_100000210262_100000187820 [0,1,0,0,0,1|2,0,0]=4 372 B11R0.232 CC(C)(CC(=O)N)NCC(=O)N 2230a_100000763158_100000747473 [0,1,0,0,0,1|2,0,0]=4 373 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,1,0,0,0,1|1,0,0]=3 374 B11R0.232 CC(C)(CC(=O)O)NCC(=O)[O-] 269956a_100000755897_100020667443 [0,1,0,0,0,1|0,0,1]=3 375 B11R0.232 CC(C)(CC(=O)O)NC[N+](=O)[O-] 269956a_100000755897_100000761209 [0,1,0,0,0,1|1,0,1]=4 376 B11R0.232 CC(O)CNC(C)(C)CC(=O)O 269956a_100000755897_100011218427 [0,1,0,0,0,1|1,0,1]=4 377 B11R0.232 C[C@@H](O)CNC(C)(C)CC(=O)O 269956a_100000755897_100009817552 [0,1,0,0,0,1|1,0,1]=4 378 B11R0.52 CC(=O)C(C)(C)N(C)CC(=O)O 269956a_100000746989_100000075568 [0,2,0,0,0,0|2,0,0]=4 379 B11R0.63 CCC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000742827 [0,2,0,0,0,0|2,0,0]=4 380 B11R0.63 CNC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100000209862 [0,2,0,0,0,0|2,0,0]=4 381 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000725243_100000747473 [0,2,0,0,0,0|2,0,0]=4 382 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 2230a_100000739694_100000211248 [0,2,0,0,0,0|2,0,0]=4 383 B11R0.63 COC(=O)C(C)N(C)CC(=O)N 269982a_100000725243_100000187820 [0,2,0,0,0,0|2,0,0]=4 384 B11R0.63 COC(=O)C(C)N(C)CC(=O)[O-] 269982a_100000725243_100020667443 [0,2,0,0,0,0|1,0,1]=4 385 B11R0.92 CCC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747405 [0,2,0,0,0,0|2,0,0]=4 386 B11R0.92 CNC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000183359 [0,2,0,0,0,0|2,0,0]=4 387 B11R0.92 COC(=O)CN(C)C(C)C(=O)C 2230a_100000198492_100009814033 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.92 COC(=O)CN(C)C(C)C(=O)N 2230a_100000198492_100000702099 [0,2,0,0,0,0|2,0,0]=4 389 B11R0.92 COC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747449 [0,2,0,0,0,0|1,0,0]=3 390 B11R0.92 COC(=O)CN(C)C(F)C(=O)N 2230a_100000198492_100009813875 [0,2,0,0,0,0|2,0,0]=4 391 B11R0.144 CCN(CC(=O)O)C(C)C(=O)C 269956a_100000746405_100009814033 [0,2,0,0,0,0|2,0,0]=4 392 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]=4 393 B11R0.282 CCC(C(=O)N)N(C)CC(=O)O 269956a_100000746989_200011216081 [0,2,0,0,0,0|2,0,0]=4 394 B11R0.282 CN(CC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000187820 [0,2,0,0,0,0|2,0,0]=4 395 B11R0.282 CN(CC(=O)[O-])[C@@H](CO)C(=O)O 269956a_100015362447_100020667443 [0,2,0,0,0,0|1,0,1]=4 396 B11R0.1 C=COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000036128 [0,2,0,0,0,0|2,0,0]=4 397 B11R0.1 C=COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000036128 [0,2,0,0,0,0|1,0,0]=3 398 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,2,0,0,0,0|2,0,0]=4 399 B11R0.1 CCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183381 [0,2,0,0,0,0|2,0,0]=4 400 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,2,0,0,0,0|2,0,0]=4 401 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000220588_100000747473 [0,2,0,0,0,0|2,0,0]=4 402 B11R0.1 CCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000188475 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,2,0,0,0,0|1,0,0]=3 404 B11R0.1 CN(CC(=O)N)CC(=O)NCO 2230a_100000739694_100000185155 [0,2,0,0,0,0|2,0,0]=4 405 B11R0.1 CN(CC(=O)O)CC(=O)NCO 269956a_100000746989_100000185155 [0,2,0,0,0,0|1,0,0]=3 406 B11R0.91 CCC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000747405 [0,2,0,0,0,0|2,0,0]=4 407 B11R0.91 CCN(CC(=O)O)CC(=O)NC 269956a_100000746405_100000183359 [0,2,0,0,0,0|2,0,0]=4 408 B11R0.91 CCN(CC(=O)O)CC(=O)OC 269956a_100000746405_100000747449 [0,2,0,0,0,0|1,0,0]=3 409 B11R0.91 COC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000747449 [0,2,0,0,0,0|1,0,1]=4 410 B11R0.110 CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210202 [0,2,0,0,0,0|1,0,0]=3 411 B11R0.110 CCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000210414 [0,2,0,0,0,0|2,0,0]=4 412 B11R0.110 CNC(=O)CC(C)CC(=O)OC 11a_106832991635_100000732146 [0,2,0,0,0,0|1,0,0]=3 413 B11R0.110 CNC(=O)CC(C)CC(=O)OC 1626a_100102657272_100000732146 [0,2,0,0,0,0|1,0,0]=3 414 B11R0.110 CNC(=O)CC(C)CC(=O)OC 240690a_100102657272_100000732146 [0,2,0,0,0,0|1,0,0]=3 415 B11R0.110 CNC(=O)CC(C)CC(=O)OC 527a_100102657272_100000732146 [0,2,0,0,0,0|1,0,0]=3 416 B11R0.110 CNC(=O)CN(C)CC(=O)OC 2230a_100000189611_100000747449 [0,2,0,0,0,0|2,0,0]=4 417 B11R0.110 CNC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000183359 [0,2,0,0,0,0|2,0,0]=4 418 B11R0.110 COC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747449 [0,2,0,0,0,0|1,0,1]=4 419 B11R0.110 COC(=O)CC(C)CC(=O)CF 1458a_100000732146_100015361967 [0,2,0,0,0,0|1,0,0]=3 420 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000747449 [0,2,0,0,0,0|1,0,0]=3 421 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000750971_200000210301 [0,2,0,0,0,0|1,0,0]=3 422 B11R0.110 COC(=O)CN([13CH3])CC(=O)OC 2230a_100000750971_200025704644 [0,2,0,0,0,0|1,0,0]=3 423 B11R0.110 COC(=O)C[C@@H](C)NC(=O)CO 188690a_100016994721_100000210174 [0,2,0,0,0,0|1,0,0]=3 424 B11R0.255 CC(C)(CC(=O)N)NC(=O)CO 240690a_100000763158_100000210174 [0,2,0,0,0,0|2,0,0]=4 425 B11R0.255 CC(C)(CC(=O)N)NC(=O)CO 527a_100000763158_100000210174 [0,2,0,0,0,0|2,0,0]=4 426 B11R0.35 C#CCN(CC(=O)N)CC(=O)O 269956a_100011236498_100000187820 [0,2,0,0,0,0|2,0,0]=4 427 B11R0.35 C#CCN(CC(=O)[O-])CC(=O)O 269956a_100011236498_100020667443 [0,2,0,0,0,0|1,0,1]=4 428 B11R0.35 C=CCN(CC(=O)N)CC(=O)O 269956a_100000744315_100000187820 [0,2,0,0,0,0|2,0,0]=4 429 B11R0.35 C=CCN(CC(=O)[O-])CC(=O)O 269956a_100000744315_100020667443 [0,2,0,0,0,0|1,0,1]=4 430 B11R0.35 NC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000187820 [0,2,0,0,0,0|2,0,0]=4 431 B11R0.35 O=C([O-])CN(CCO)CC(=O)O 269956a_100000747938_100020667443 [0,2,0,0,0,0|1,0,1]=4 432 B9R1.7 O=CCN1CNC(=O)C1 2230a_200000708111_200015260668 [1,0,0,1,0,0|2,0,0]=4 433 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,1,0,0|2,0,0]=4 434 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|1,0,1]=4 435 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|1,0,1]=4 436 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,1,0,0|2,0,0]=4 437 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|1,0,1]=4 438 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [1,0,0,1,0,0|2,0,0]=4 439 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [1,0,0,1,0,0|2,0,0]=4 440 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,0,1,0,0|1,0,0]=3 441 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [1,0,0,1,0,0|2,0,0]=4 443 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|2,0,0]=4 444 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|1,0,0]=3 445 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|2,0,0]=4 446 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|1,0,0]=3 447 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,1|2,0,0]=4 448 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [0,0,0,1,0,1|2,0,0]=4 449 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [0,0,0,1,0,1|2,0,0]=4 450 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [0,0,0,1,0,1|2,0,0]=4 451 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [0,0,0,1,0,1|2,0,0]=4 452 B11R1.75 NC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000747473 [0,0,0,1,0,1|2,0,0]=4 453 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,0,0,1,0,1|2,0,0]=4 454 B11R1.75 NC(=O)COC1CNC(=O)C1 34a_100000690082_100000187820 [0,0,0,1,0,1|2,0,0]=4 455 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,1|2,0,0]=4 456 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,0,0,1,0,1|1,0,1]=4 457 B11R1.75 O=C([O-])COC1CNC(=O)C1 34a_100000690082_100020667443 [0,0,0,1,0,1|1,0,1]=4 458 B11R1.75 O=C([O-])CSC1COC(=O)O1 62a_100020667443_100000032252 [0,0,0,1,0,1|1,0,1]=4 459 B11R1.152 CN(CC(=O)O)C1CC(=O)C1 269956a_100000746989_100009894365 [0,0,0,1,0,1|2,0,0]=4 460 B11R1.141 CN(CC(=O)O)C1CCC1=O 269956a_100000746989_100009892977 [0,1,0,1,0,0|2,0,0]=4 461 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,1,0,1,0,0|2,0,0]=4 462 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [0,1,0,1,0,0|1,0,1]=4 463 B11R1.39 C#CC(=O)CC1COC(=O)O1 1458a_100000211873_100000073702 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.39 C#CC(=O)C[C@H]1COC(=O)N1 1458a_100000211873_100015307671 [0,1,0,1,0,0|2,0,0]=4 465 B11R1.39 C=CC(=O)CC1COC(=O)O1 1458a_100000185746_100000073702 [0,1,0,1,0,0|2,0,0]=4 466 B11R1.39 C=CC(=O)C[C@H]1COC(=O)N1 1458a_100000185746_100015307671 [0,1,0,1,0,0|2,0,0]=4 467 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,1,0,1,0,0|2,0,0]=4 468 B11R1.39 CCC(=O)C[C@H]1COC(=O)N1 1458a_100000210414_100015307671 [0,1,0,1,0,0|2,0,0]=4 469 B11R1.39 COC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747449 [0,1,0,1,0,0|2,0,0]=4 470 B11R1.39 O=C(CO)CC1CNC(=O)O1 1458a_100000210174_100000181169 [0,1,0,1,0,0|2,0,0]=4 471 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,1,0,1,0,0|1,0,0]=3 472 B11R1.39 O=C(CO)C[C@@H]1CCC(=O)N1 1458a_100000210174_100015189358 [0,1,0,1,0,0|2,0,0]=4 473 B11R1.39 O=C(CO)C[C@H]1COC(=O)N1 1458a_100000210174_100015307671 [0,1,0,1,0,0|1,0,0]=3 474 B11R1.39 O=C1CC(CN1)NC(=O)CO 240690a_100000697751_100000210174 [0,1,0,1,0,0|2,0,0]=4 475 B11R1.39 O=C1CC(CN1)NC(=O)CO 527a_100000697751_100000210174 [0,1,0,1,0,0|2,0,0]=4 476 B11R1.157 NC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747473 [0,1,0,1,0,0|2,0,0]=4 477 B11R1.849 COC(=O)C1CN1CC(=O)N 2230a_200009830135_100000747473 [0,1,0,1,0,0|2,0,0]=4 478 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,0,0,0,1,0|2,0,0]=4 479 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,0,0,0,1,0|2,0,0]=4 480 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,1,0|1,0,1]=4 481 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,1,0|2,0,0]=4 482 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,1,0|2,0,0]=4 483 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,1,0|2,0,0]=4 484 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,1,0|2,0,0]=4 485 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,2,0|2,0,0]=4 486 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,2,0|2,0,0]=4 487 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [1,0,0,0,0,1|2,0,0]=4 488 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [1,0,0,0,0,1|2,0,0]=4 489 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [1,0,0,0,0,1|1,0,1]=4 490 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [1,0,0,0,0,1|1,0,1]=4 491 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [1,0,0,0,0,1|1,0,1]=4 492 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [1,0,0,0,0,1|1,0,1]=4 493 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,0,0,0,0,1|0,0,1]=3 494 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [1,0,0,0,0,1|1,0,1]=4 495 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [1,0,0,0,0,1|1,0,1]=4 496 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [1,0,0,0,0,1|0,0,2]=4 497 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [1,0,0,0,0,1|0,0,2]=4 498 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,0,0,0,0,1|1,0,1]=4 499 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [1,0,0,0,0,1|2,0,0]=4 500 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,0,0,0,0,1|2,0,0]=4 501 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [1,0,0,0,0,1|1,0,1]=4 502 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [1,0,0,0,0,1|1,0,1]=4 503 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [1,0,0,0,0,1|0,0,2]=4 504 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,1|2,0,0]=4 505 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,1|2,0,0]=4 506 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,1|2,0,0]=4 507 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,1|2,0,0]=4 508 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,1|2,0,0]=4 509 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|1,0,0]=3 510 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,1|2,0,0]=4 511 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 512 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 513 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,1|1,0,1]=4 514 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,1|2,0,0]=4 515 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,1|2,0,0]=4 516 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,1|2,0,0]=4 517 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,1|1,0,1]=4 518 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,1|1,0,1]=4 519 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,1|2,0,0]=4 520 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,1|2,0,0]=4 521 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,1|2,0,0]=4 522 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,1|2,0,0]=4 523 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 524 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,1|1,0,1]=4 525 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,0,0,0,0,1|2,0,0]=4 526 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|1,0,0]=3 527 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,0,0,0,0,1|2,0,0]=4 528 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,0,0,0,0,1|2,0,0]=4 529 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,0,0,0,0,1|1,0,1]=4 530 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,0,0,0,0,1|2,0,0]=4 531 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,0,0,0,0,1|2,0,0]=4 532 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,0,0,0,0,1|1,0,1]=4 533 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,0,0,0,0,1|1,0,1]=4 534 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,1|2,0,0]=4 535 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,1|1,0,1]=4 536 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,1|2,0,0]=4 537 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,0,0,0,0,2|2,0,0]=4 538 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,0,0,0,0,2|2,0,0]=4 539 B11R0.6 CC(=O)OC(C)NOCC(=O)O 269956a_100000106656_100009818208 [0,0,0,0,0,2|2,0,0]=4 540 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,0,0,0,0,2|2,0,0]=4 541 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,0,0,0,0,2|2,0,0]=4 542 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [0,0,0,0,0,2|2,0,0]=4 543 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [0,0,0,0,0,2|1,0,1]=4 544 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,0,0,0,0,2|2,0,0]=4 545 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,0,0,0,0,2|2,0,0]=4 546 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,0,0,0,0,2|1,0,1]=4