0 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,0,0,0,0,0|2,0,0]=3 20 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 39 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,0,0,0,0,0|3,0,0]=4 40 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [1,0,0,0,0,0|1,0,2]=4 55 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B10R0.13 CC(=O)C(C)N(C)CC(=O)O 269956a_100000746989_100009814033 [0,1,0,0,0,0|3,0,0]=4 59 B10R0.13 CC(C(=O)O)N(C)CC(=O)N 269956a_100000749554_100000187820 [0,1,0,0,0,0|3,0,0]=4 60 B10R0.13 CC(C(=O)O)N(C)CC(=O)[O-] 269956a_100000749554_100020667443 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.31 CC(=O)CC(O)CS(=O)(=O)[O-] 1458a_100000070787_100016993520 [0,1,0,0,0,0|2,0,1]=4 62 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,0|3,0,0]=4 63 B10R0.44 CNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000183359 [0,1,0,0,0,0|3,0,0]=4 64 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,1,0,0,0,0|1,0,2]=4 65 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,1,0,0,0,0|1,0,2]=4 66 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,1,0,0,0,0|0,0,3]=4 67 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,1,0,0,0,0|2,0,0]=3 69 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000198492_100000747473 [0,1,0,0,0,0|3,0,0]=4 70 B10R0.44 COC(=O)CN(C)CC(=O)N 2230a_100000739694_100000747449 [0,1,0,0,0,0|3,0,0]=4 71 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,0|2,0,0]=3 72 B10R0.44 COC(=O)C[C@@H](C)NC(=O)C 188690a_100016994721_100015343762 [0,1,0,0,0,0|3,0,0]=4 73 B10R0.70 CCN(CC(=O)N)CC(=O)O 269956a_100000746405_100000187820 [0,1,0,0,0,0|3,0,0]=4 74 B10R0.70 CCN(CC(=O)[O-])CC(=O)O 269956a_100000746405_100020667443 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.70 NC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000187820 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.70 O=C([O-])CN(CO)CC(=O)[O-] 269956a_100016989150_100020667443 [0,1,0,0,0,0|1,0,2]=4 77 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,0|3,0,0]=4 79 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,0,1|3,0,0]=4 80 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,0,1|3,0,0]=4 81 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,0,0,0,0,1|3,0,0]=4 82 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,0,1|3,0,0]=4 83 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,0,1|2,0,1]=4 84 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,0,1|3,0,0]=4 85 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [2,0,0,0,0,0|1,0,1]=4 88 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [2,0,0,0,0,0|1,0,1]=4 89 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|2,0,0]=4 99 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 101 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 104 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.14 O=CCN(CO)CC(=O)[O-] 269956a_100016989150_200015260668 [1,1,0,0,0,0|1,0,1]=4 109 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [1,1,0,0,0,0|2,0,0]=4 110 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [1,1,0,0,0,0|2,0,0]=4 111 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [1,1,0,0,0,0|2,0,0]=4 113 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [1,1,0,0,0,0|2,0,0]=4 115 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [1,1,0,0,0,0|2,0,0]=4 116 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [1,1,0,0,0,0|2,0,0]=4 117 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [1,1,0,0,0,0|2,0,0]=4 119 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|2,0,0]=4 120 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,0]=3 122 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|2,0,0]=4 124 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,1]=4 125 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|2,0,0]=4 127 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|2,0,0]=4 128 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|2,0,0]=4 129 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,1,0,0,0,0|2,0,0]=4 130 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,0]=3 131 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,0]=3 132 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,0]=3 133 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|2,0,0]=4 134 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,1,0,0,0,0|2,0,0]=4 135 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,1,0,0,0,0|1,0,0]=3 136 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|2,0,0]=4 137 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|2,0,0]=4 138 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,1,0,0,0,0|2,0,0]=4 139 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,1,0,0,0,0|2,0,0]=4 140 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|2,0,0]=4 141 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,1,0,0,0,0|1,0,1]=4 142 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,1,0,0,0,0|1,0,1]=4 143 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [1,1,0,0,0,0|1,0,0]=3 144 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 145 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [1,1,0,0,0,0|2,0,0]=4 146 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [1,1,0,0,0,0|2,0,0]=4 147 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [1,1,0,0,0,0|2,0,0]=4 148 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [1,1,0,0,0,0|2,0,0]=4 149 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,1,0,0,0,0|2,0,0]=4 150 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,1,0,0,0,0|1,0,1]=4 151 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,1,0|2,0,0]=4 152 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,1,0|2,0,0]=4 153 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,0,0,0,1|2,0,0]=4 154 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,1,0,0,0,1|2,0,0]=4 155 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,1,0,0,0,1|1,0,0]=3 156 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,0,1|2,0,0]=4 157 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,1,0,0,0,1|2,0,0]=4 158 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,1,0,0,0,1|2,0,0]=4 159 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [0,1,0,0,0,1|1,0,1]=4 160 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [0,1,0,0,0,1|1,0,1]=4 161 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,1,0,0,0,1|1,0,0]=3 162 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,1,0,0,0,1|2,0,0]=4 163 B11R0.107 COC(C)NCC(O)CC(=O)O 269956a_100011218706_100009879195 [0,1,0,0,0,1|1,0,1]=4 164 B11R0.107 C[C@H](CO)NCC(O)CC(=O)O 269956a_100011218706_100016084084 [0,1,0,0,0,1|1,0,1]=4 165 B11R0.143 C=C(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748629 [0,1,0,0,0,1|2,0,0]=4 166 B11R0.143 C=C(F)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000042424 [0,1,0,0,0,1|2,0,0]=4 167 B11R0.143 CC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218427 [0,1,0,0,0,1|1,0,1]=4 168 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,1,0,0,0,1|2,0,0]=4 169 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,1,0,0,0,1|1,0,1]=4 170 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]=4 171 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,1,0,0,0,1|1,0,0]=3 172 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]=4 173 B11R0.143 O=C([O-])CN[C@H](CO)CC(=O)O 269956a_100009816507_100020667443 [0,1,0,0,0,1|0,0,1]=3 174 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,1,0,0,0,1|2,0,0]=4 175 B11R0.232 CC(C)(CC(=O)O)NCC(=O)[O-] 269956a_100000755897_100020667443 [0,1,0,0,0,1|1,0,1]=4 176 B11R0.92 COC(=O)CN(C)C(C)C(=O)O 269956a_100000749554_100000747449 [0,2,0,0,0,0|2,0,0]=4 177 B11R0.119 O=C(CO)CC(O)CS(=O)(=O)[O-] 1458a_100000210174_100016993520 [0,2,0,0,0,0|1,0,1]=4 178 B11R0.1 C=COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000036128 [0,2,0,0,0,0|2,0,0]=4 179 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,2,0,0,0,0|2,0,0]=4 180 B11R0.1 CN(CC(=O)O)CC(=O)NCO 269956a_100000746989_100000185155 [0,2,0,0,0,0|2,0,0]=4 181 B11R0.91 CCN(CC(=O)O)CC(=O)OC 269956a_100000746405_100000747449 [0,2,0,0,0,0|2,0,0]=4 182 B11R0.91 COC(=O)CN(CO)CC(=O)[O-] 269956a_100016989150_100000747449 [0,2,0,0,0,0|1,0,1]=4 183 B11R0.110 CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210202 [0,2,0,0,0,0|2,0,0]=4 184 B11R0.110 CNC(=O)CC(C)CC(=O)OC 11a_106832991635_100000732146 [0,2,0,0,0,0|2,0,0]=4 185 B11R0.110 CNC(=O)CC(C)CC(=O)OC 1626a_100102657272_100000732146 [0,2,0,0,0,0|2,0,0]=4 186 B11R0.110 CNC(=O)CC(C)CC(=O)OC 240690a_100102657272_100000732146 [0,2,0,0,0,0|2,0,0]=4 187 B11R0.110 CNC(=O)CC(C)CC(=O)OC 527a_100102657272_100000732146 [0,2,0,0,0,0|2,0,0]=4 188 B11R0.110 COC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747449 [0,2,0,0,0,0|0,0,2]=4 189 B11R0.110 COC(=O)CC(C)CC(=O)CF 1458a_100000732146_100015361967 [0,2,0,0,0,0|2,0,0]=4 190 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000747449 [0,2,0,0,0,0|2,0,0]=4 191 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000750971_200000210301 [0,2,0,0,0,0|2,0,0]=4 192 B11R0.110 COC(=O)CN([13CH3])CC(=O)OC 2230a_100000750971_200025704644 [0,2,0,0,0,0|2,0,0]=4 193 B11R0.110 COC(=O)C[C@@H](C)NC(=O)CO 188690a_100016994721_100000210174 [0,2,0,0,0,0|2,0,0]=4 194 B11R0.35 NC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000187820 [0,2,0,0,0,0|2,0,0]=4 195 B11R0.35 O=C([O-])CN(CCO)CC(=O)O 269956a_100000747938_100020667443 [0,2,0,0,0,0|1,0,1]=4 196 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [1,0,0,1,0,0|1,0,0]=3 199 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [1,0,0,1,0,0|1,0,0]=3 201 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,1,0,1,0,0|2,0,0]=4 202 B11R1.39 O=C(CO)C[C@H]1COC(=O)N1 1458a_100000210174_100015307671 [0,1,0,1,0,0|2,0,0]=4 203 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,1,0|2,0,0]=4 204 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,1,0|2,0,0]=4 205 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,0,0,0,0,1|1,0,1]=4 206 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,0,1|2,0,0]=4 207 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,0,1|2,0,0]=4 208 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,0,0,0,0,1|2,0,0]=4 209 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,0,0,0,0,1|2,0,0]=4 210 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,0,0,0,0,1|2,0,0]=4 211 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,0,1|1,0,0]=3 212 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,0,0,0,0,1|2,0,0]=4 213 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 214 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,0,0,0,0,1|2,0,0]=4 215 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,0,0,0,0,1|1,0,1]=4 216 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,0,0,0,0,1|2,0,0]=4 217 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,0,0,0,0,1|2,0,0]=4 218 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,0,0,0,0,1|2,0,0]=4 219 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,0,0,0,0,1|1,0,1]=4 220 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,0,0,0,0,1|1,0,1]=4 221 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,0,0,0,0,1|2,0,0]=4 222 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,0,0,0,0,1|2,0,0]=4 223 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,0,0,0,0,1|2,0,0]=4 224 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,0,0,0,0,1|2,0,0]=4 225 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [1,0,0,0,0,1|2,0,0]=4 226 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,0,0,0,0,1|1,0,1]=4 227 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [1,0,0,0,0,1|2,0,0]=4 228 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [1,0,0,0,0,1|1,0,0]=3 229 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [1,0,0,0,0,1|2,0,0]=4 230 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [1,0,0,0,0,1|2,0,0]=4 231 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [1,0,0,0,0,1|1,0,1]=4 232 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,0,0,0,0,1|2,0,0]=4 233 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,0,0,0,0,1|2,0,0]=4 234 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [1,0,0,0,0,1|1,0,1]=4 235 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [1,0,0,0,0,1|1,0,1]=4 236 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [1,0,0,0,0,1|2,0,0]=4 237 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [1,0,0,0,0,1|1,0,1]=4 238 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,0,0,0,0,1|2,0,0]=4 239 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,0,0,0,0,2|2,0,0]=4 240 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,0,0,0,0,2|2,0,0]=4 241 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,0,0,0,0,2|1,0,1]=4 242 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,0,0,0,0,2|1,0,1]=4 243 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,0,0,0,0,2|1,0,0]=3 244 B11R0.6 O=C(O)CC(O)CNC[N+](=O)[O-] 269956a_100011218706_100000761209 [0,0,0,0,0,2|1,0,1]=4 245 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,0,0,0,0,2|0,0,1]=3