0 B15R0.2207 CCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210326 [0,0,0,0,0,0|2,0,1]=3 1 B15R0.2207 CCCCCC(=O)CCN(C)CCCCC 1458a_100016987678_100000210326 [0,0,0,0,0,0|4,0,0]=4 2 B15R0.2207 CCCCCC(=O)NCC(=O)NCCOC 1626a_100000754632_100000212188 [0,0,0,0,0,0|4,0,0]=4 3 B15R0.2207 CCCCCC(=O)NCC(=O)NCCOC 240690a_100000754632_100000212188 [0,0,0,0,0,0|4,0,0]=4 4 B15R0.2207 CCCCCC(=O)NCC(=O)NCCOC 527a_100000754632_100000212188 [0,0,0,0,0,0|4,0,0]=4 5 B15R0.2207 CCCCCC(=O)NNC(=O)CCCCC 22a_100000189784_100000212188 [0,0,0,0,0,0|4,0,0]=4 6 B15R0.2207 CCCCCC(=O)NNC(=O)NCCCC 273464a_100000102301_100000189784 [0,0,0,0,0,0|4,0,0]=4 7 B15R0.2207 CCCCCC(=O)NNC(=O)NCCCC 512a_100000102301_100000189784 [0,0,0,0,0,0|4,0,0]=4 8 B15R0.2207 CCCCCC(=O)NNC(=O)NCCCC 512a_100000189784_100000102301 [0,0,0,0,0,0|4,0,0]=4 9 B15R0.2207 CCCCCC(C)CCC(=O)NCCCC 11a_100000102301_100000034243 [0,0,0,0,0,0|3,0,1]=4 10 B15R0.2207 CCCCCC(C)CCC(=O)NCCCC 1626a_100000102301_100000034243 [0,0,0,0,0,0|3,0,1]=4 11 B15R0.2207 CCCCCC(C)CCC(=O)NCCCC 240690a_100000102301_100000034243 [0,0,0,0,0,0|3,0,1]=4 12 B15R0.2207 CCCCCC(C)CCC(=O)NCCCC 527a_100000102301_100000034243 [0,0,0,0,0,0|3,0,1]=4 13 B15R0.2207 CCCCCC(C)NCC(=O)OCCCC 2230a_100000211957_100000211628 [0,0,0,0,0,0|3,0,1]=4 14 B15R0.2207 CCCCCC(C)OCC(=O)OCCCC 34a_100011215632_100000211628 [0,0,0,0,0,0|3,0,1]=4 15 B15R0.2207 CCCCCC(C)OCC(=O)OCCCC 7a_100011215632_100000211628 [0,0,0,0,0,0|3,0,1]=4 16 B15R0.2207 CCCCCC(C)SCC(=O)OCCCC 62a_100000211628_200011218191 [0,0,0,0,0,0|3,0,1]=4 17 B15R0.2207 CCCCCC(C)SCC(=O)OCCCC 62a_200011218191_100000211628 [0,0,0,0,0,0|3,0,1]=4 18 B15R0.2207 CCCCCN(C)CCC(=O)NCCCC 240690a_100000102301_100016987678 [0,0,0,0,0,0|4,0,0]=4 19 B15R0.2207 CCCCNC(=O)C=CC(=O)OCCCC 1626a_100000102301_100015195251 [0,0,0,0,0,0|1,0,2]=3 20 B15R0.2207 CCCCNC(=O)C=CC(=O)OCCCC 240690a_100000102301_100015195251 [0,0,0,0,0,0|1,0,2]=3 21 B15R0.2207 CCCCNC(=O)CCC(=O)OCCC#N 1626a_100000102301_200009922858 [0,0,0,0,0,0|2,0,1]=3 22 B15R0.2207 CCCCNC(=O)CCC(=O)OCCC#N 240690a_100000102301_200009922858 [0,0,0,0,0,0|2,0,1]=3 23 B15R0.2207 CCCCNC(=O)NCC(=O)NCCOC 2708a_100000102301_100000754632 [0,0,0,0,0,0|4,0,0]=4 24 B15R0.2207 CCCCNC(=O)NCC(=O)NCCOC 273464a_100000102301_100000754632 [0,0,0,0,0,0|4,0,0]=4 25 B15R0.2207 CCCCNC(=O)NCC(=O)NCCOC 273464a_100000754632_100000102301 [0,0,0,0,0,0|4,0,0]=4 26 B15R0.2207 CCCCNC(=O)NCC(=O)NCCOC 512a_100000102301_100000754632 [0,0,0,0,0,0|4,0,0]=4 27 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCCF 1626a_100015189416_100015195251 [0,0,0,0,0,0|2,0,2]=4 28 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCCF 240690a_100015189416_100015195251 [0,0,0,0,0,0|2,0,2]=4 29 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCCO 240690a_100000182051_100015195251 [0,0,0,0,0,0|2,0,2]=4 30 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCOC 1626a_100000209980_100015195251 [0,0,0,0,0,0|2,0,2]=4 31 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCOC 240690a_100000209980_100015195251 [0,0,0,0,0,0|2,0,2]=4 32 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCSC 1626a_100020590264_100015195251 [0,0,0,0,0,0|2,0,2]=4 33 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCSC 240690a_100020590264_100015195251 [0,0,0,0,0,0|2,0,2]=4 34 B15R0.2207 CCCCOC(=O)C=CC(=O)NNCCC 22a_100000740057_100015195251 [0,0,0,0,0,0|2,0,2]=4 35 B15R0.2207 CCCCOC(=O)CCC(=NNCCC)C 4a_100000740057_200011212340 [0,0,0,0,0,0|3,0,0]=3 36 B15R0.2207 CCCCOC(=O)CCC(=NNCCO)C 4a_100000210001_200011212340 [0,0,0,0,0,0|4,0,0]=4 37 B15R0.2207 CCCNNC(=O)CCC(=O)OCCC#N 22a_100000740057_200009922858 [0,0,0,0,0,0|3,0,1]=4 38 B15R0.2207 CCOCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011215890 [0,0,0,0,0,0|3,0,1]=4 39 B15R0.2207 CCSCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000757381 [0,0,0,0,0,0|3,0,1]=4 40 B15R0.2207 COCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000740836 [0,0,0,0,0,0|3,0,1]=4 41 B15R0.2207 COCCNC(=O)CCC(=O)OCCC#N 1626a_100000209980_200009922858 [0,0,0,0,0,0|3,0,1]=4 42 B15R0.2207 COCCNC(=O)CCC(=O)OCCC#N 240690a_100000209980_200009922858 [0,0,0,0,0,0|3,0,1]=4 43 B15R0.2207 CSCCNC(=O)CCC(=O)OCCC#N 1626a_100020590264_200009922858 [0,0,0,0,0,0|3,0,1]=4 44 B15R0.2207 CSCCNC(=O)CCC(=O)OCCC#N 240690a_100020590264_200009922858 [0,0,0,0,0,0|3,0,1]=4 45 B15R0.2207 N#CCCOC(=O)CCC(=O)CCCCF 1458a_200009922858_100000729493 [0,0,0,0,0,0|3,0,1]=4 46 B15R0.2207 N#CCCOC(=O)CCC(=O)CCCCO 1458a_200009922858_100000210776 [0,0,0,0,0,0|3,0,1]=4 47 B15R0.2207 N#CCCOC(=O)CCC(=O)NCCCF 1626a_100015189416_200009922858 [0,0,0,0,0,0|3,0,1]=4 48 B15R0.2207 N#CCCOC(=O)CCC(=O)NCCCF 240690a_100015189416_200009922858 [0,0,0,0,0,0|3,0,1]=4 49 B15R0.2207 N#CCCOC(=O)CCC(=O)NCCCO 240690a_100000182051_200009922858 [0,0,0,0,0,0|3,0,1]=4 50 B14R0.179 CCCCC/C=C/CC(=O)CCCCC 1458a_100020675968_100000210326 [1,0,0,0,0,0|2,0,1]=4 51 B14R0.179 CCCCC/C=C/CC(=O)NCCCC 11a_100000102301_100020675968 [1,0,0,0,0,0|2,0,1]=4 52 B14R0.179 CCCCC/C=C/CC(=O)NCCCC 1626a_100000102301_100020675968 [1,0,0,0,0,0|2,0,1]=4 53 B14R0.179 CCCCC/C=C/CC(=O)NCCCC 240690a_100000102301_100020675968 [1,0,0,0,0,0|2,0,1]=4 54 B14R0.179 CCCCCC(=O)CCCOCCOC 1458a_100000212188_100011216529 [1,0,0,0,0,0|2,0,1]=4 55 B14R0.179 CCCCCC(=O)CSCOCCCC 62a_100011995733_200012276598 [1,0,0,0,0,0|2,0,1]=4 56 B14R0.179 CCCCCC(=O)CSCOCCCC 62a_200012276598_100011995733 [1,0,0,0,0,0|2,0,1]=4 57 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000210188_100000210326 [1,0,0,0,0,0|2,0,1]=4 58 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210759 [1,0,0,0,0,0|2,0,1]=4 59 B14R0.179 CCCCCCCCC(=O)NCCCC 11a_100000102301_100000210188 [1,0,0,0,0,0|2,0,1]=4 60 B14R0.179 CCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210188 [1,0,0,0,0,0|2,0,1]=4 61 B14R0.179 CCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210188 [1,0,0,0,0,0|2,0,1]=4 62 B14R0.179 CCCCCCCCC(=O)NCCCC 527a_100000102301_100000210188 [1,0,0,0,0,0|2,0,1]=4 63 B14R0.179 CCCCCCNCC(=O)OCCCC 2230a_100000210581_100000211628 [1,0,0,0,0,0|2,0,1]=4 64 B14R0.179 CCCCCCOCC(=O)OCCCC 34a_100000210259_100000211628 [1,0,0,0,0,0|2,0,1]=4 65 B14R0.179 CCCCCCOCC(=O)OCCCC 7a_100000210259_100000211628 [1,0,0,0,0,0|2,0,1]=4 66 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000210314_100000211628 [1,0,0,0,0,0|2,0,1]=4 67 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000211628_100000210757 [1,0,0,0,0,0|2,0,1]=4 68 B14R0.179 CCCCNC(=O)CSCOCCCC 62a_100000182744_100011995733 [1,0,0,0,0,0|2,0,1]=4 69 B14R0.179 CCCCNC(=O)CSCOCCCC 62a_100011995733_100000182744 [1,0,0,0,0,0|2,0,1]=4 70 B14R0.179 CCCCOC(=O)CSCOCCOC 62a_100000211628_100000231047 [1,0,0,0,0,0|2,0,1]=4 71 B14R0.179 CCCCOC(=O)CSCOCCOC 62a_100000231047_100000211628 [1,0,0,0,0,0|2,0,1]=4 72 B14R0.179 CCCCOCSCC(=O)OCCCC 62a_100000211628_100011995733 [1,0,0,0,0,0|1,0,1]=3 73 B14R0.179 CCCCOCSCC(=O)OCCCC 62a_100011995733_100000211628 [1,0,0,0,0,0|1,0,1]=3 74 B14R0.179 CCCCOCSCC(=O)OCCOC 62a_100011995733_200000040189 [1,0,0,0,0,0|2,0,1]=4 75 B14R0.179 CCCCOCSCC(=O)OCCOC 62a_200000040189_100011995733 [1,0,0,0,0,0|2,0,1]=4 76 B14R0.529 CCCC#CC(=O)COC(=O)OCCC 1458a_200011218047_200000139673 [1,0,0,0,0,0|2,0,1]=4 77 B14R0.529 CCCC=CC(=O)COC(=O)OCCC 1458a_100000212230_200000139673 [1,0,0,0,0,0|2,0,1]=4 78 B14R0.529 CCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210211 [1,0,0,0,0,0|1,0,1]=3 79 B14R0.529 CCCCC(=O)NCC(=O)NCCOC 1626a_100000754632_100000210183 [1,0,0,0,0,0|3,0,0]=4 80 B14R0.529 CCCCC(=O)NCC(=O)NCCOC 240690a_100000754632_100000210183 [1,0,0,0,0,0|3,0,0]=4 81 B14R0.529 CCCCC(=O)NCC(=O)NCCOC 527a_100000754632_100000210183 [1,0,0,0,0,0|3,0,0]=4 82 B14R0.529 CCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210326 [1,0,0,0,0,0|2,0,0]=3 83 B14R0.529 CCCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210326 [1,0,0,0,0,0|2,0,1]=4 84 B14R0.529 CCCCCC(=O)COC(=O)OCCC 1458a_100000212188_200000139673 [1,0,0,0,0,0|2,0,0]=3 85 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 11a_100000174927_100000212188 [1,0,0,0,0,0|3,0,0]=4 86 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 1626a_100000174927_100000212188 [1,0,0,0,0,0|3,0,0]=4 87 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 240690a_100000174927_100000212188 [1,0,0,0,0,0|3,0,0]=4 88 B14R0.529 CCCCCC(=O)NCC(=O)NCCC 527a_100000174927_100000212188 [1,0,0,0,0,0|3,0,0]=4 89 B14R0.529 CCCCCC(=O)NNC(=O)CCCC 22a_100000189769_100000212188 [1,0,0,0,0,0|3,0,0]=4 90 B14R0.529 CCCCCC(=O)NNC(=O)CCCC 22a_100000189784_100000210183 [1,0,0,0,0,0|3,0,0]=4 91 B14R0.529 CCCCCC(C)CCC(=O)CCCC 1458a_100000034243_100000210211 [1,0,0,0,0,0|2,0,1]=4 92 B14R0.529 CCCCCN(C)CCC(=O)CCCC 1458a_100016987678_100000210211 [1,0,0,0,0,0|3,0,0]=4 93 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 11a_100000102301_100000199543 [1,0,0,0,0,0|2,0,0]=3 94 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 1626a_100000102301_100000199543 [1,0,0,0,0,0|2,0,0]=3 95 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 240690a_100000102301_100000199543 [1,0,0,0,0,0|2,0,0]=3 96 B14R0.529 CCCCNC(=O)CCC(=O)NCCC 527a_100000102301_100000199543 [1,0,0,0,0,0|2,0,0]=3 97 B14R0.529 CCCCNC(=O)CCC(C)CCCC 11a_100000102301_100000033779 [1,0,0,0,0,0|2,0,1]=4 98 B14R0.529 CCCCNC(=O)CCC(C)CCCC 1626a_100000102301_100000033779 [1,0,0,0,0,0|2,0,1]=4 99 B14R0.529 CCCCNC(=O)CCC(C)CCCC 240690a_100000102301_100000033779 [1,0,0,0,0,0|2,0,1]=4 100 B14R0.529 CCCCNC(=O)CCC(C)CCCC 527a_100000102301_100000033779 [1,0,0,0,0,0|2,0,1]=4 101 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 2708a_100000102301_100000174927 [1,0,0,0,0,0|3,0,0]=4 102 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 273464a_100000102301_100000174927 [1,0,0,0,0,0|3,0,0]=4 103 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 273464a_100000174927_100000102301 [1,0,0,0,0,0|3,0,0]=4 104 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 512a_100000102301_100000174927 [1,0,0,0,0,0|3,0,0]=4 105 B14R0.529 CCCCNC(=O)NCC(=O)NCCC 512a_100000174927_100000102301 [1,0,0,0,0,0|3,0,0]=4 106 B14R0.529 CCCCNC(=O)NNC(=O)CCCC 273464a_100000102301_100000189769 [1,0,0,0,0,0|3,0,0]=4 107 B14R0.529 CCCCNC(=O)NNC(=O)CCCC 512a_100000189769_100000102301 [1,0,0,0,0,0|3,0,0]=4 108 B14R0.529 CCCCOC(=O)C=CC(=O)NCCC 1626a_100020643023_100015195251 [1,0,0,0,0,0|1,0,2]=4 109 B14R0.529 CCCCOC(=O)C=CC(=O)NCCC 240690a_100020643023_100015195251 [1,0,0,0,0,0|1,0,2]=4 110 B14R0.529 CCCCOC(=O)CCC(=NNCC)C 4a_100000756455_200011212340 [1,0,0,0,0,0|3,0,0]=4 111 B14R0.529 CCCCOC(=O)CNC(C)CCCC 2230a_100000126638_100000211628 [1,0,0,0,0,0|2,0,1]=4 112 B14R0.529 CCCCOC(=O)COC(C)CCCC 34a_100000687866_100000211628 [1,0,0,0,0,0|2,0,1]=4 113 B14R0.529 CCCCOC(=O)COC(C)CCCC 7a_100000687866_100000211628 [1,0,0,0,0,0|2,0,1]=4 114 B14R0.529 CCCCOC(=O)CSC(C)CCCC 62a_100000211628_200011215066 [1,0,0,0,0,0|2,0,1]=4 115 B14R0.529 CCCCOC(=O)CSC(C)CCCC 62a_200011215066_100000211628 [1,0,0,0,0,0|2,0,1]=4 116 B14R0.529 CCCNC(=O)CCC(=O)CCCCF 1458a_100000199543_100000729493 [1,0,0,0,0,0|3,0,0]=4 117 B14R0.529 CCCNC(=O)CCC(=O)CCCCO 1458a_100000199543_100000210776 [1,0,0,0,0,0|3,0,0]=4 118 B14R0.529 CCCNC(=O)CCC(=O)CCCOC 1458a_100000199543_100000740836 [1,0,0,0,0,0|3,0,0]=4 119 B14R0.529 CCCNC(=O)CCC(=O)CCOCC 1458a_100000199543_100011215890 [1,0,0,0,0,0|3,0,0]=4 120 B14R0.529 CCCNC(=O)CCC(=O)CCSCC 1458a_100000199543_100000757381 [1,0,0,0,0,0|3,0,0]=4 121 B14R0.529 CCCNC(=O)CCC(=O)NCCCF 11a_100015189416_100000199543 [1,0,0,0,0,0|3,0,0]=4 122 B14R0.529 CCCNC(=O)CCC(=O)NCCCF 1626a_100015189416_100000199543 [1,0,0,0,0,0|3,0,0]=4 123 B14R0.529 CCCNC(=O)CCC(=O)NCCCF 240690a_100015189416_100000199543 [1,0,0,0,0,0|3,0,0]=4 124 B14R0.529 CCCNC(=O)CCC(=O)NCCCF 527a_100015189416_100000199543 [1,0,0,0,0,0|3,0,0]=4 125 B14R0.529 CCCNC(=O)CCC(=O)NCCCO 240690a_100000182051_100000199543 [1,0,0,0,0,0|3,0,0]=4 126 B14R0.529 CCCNC(=O)CCC(=O)NCCCO 527a_100000182051_100000199543 [1,0,0,0,0,0|3,0,0]=4 127 B14R0.529 CCCNC(=O)CCC(=O)NCCOC 1626a_100000209980_100000199543 [1,0,0,0,0,0|3,0,0]=4 128 B14R0.529 CCCNC(=O)CCC(=O)NCCOC 240690a_100000209980_100000199543 [1,0,0,0,0,0|3,0,0]=4 129 B14R0.529 CCCNC(=O)CCC(=O)NCCOC 527a_100000209980_100000199543 [1,0,0,0,0,0|3,0,0]=4 130 B14R0.529 CCCNC(=O)CCC(=O)NCCSC 11a_100020590264_100000199543 [1,0,0,0,0,0|3,0,0]=4 131 B14R0.529 CCCNC(=O)CCC(=O)NCCSC 1626a_100020590264_100000199543 [1,0,0,0,0,0|3,0,0]=4 132 B14R0.529 CCCNC(=O)CCC(=O)NCCSC 240690a_100020590264_100000199543 [1,0,0,0,0,0|3,0,0]=4 133 B14R0.529 CCCNC(=O)CCC(=O)NCCSC 527a_100020590264_100000199543 [1,0,0,0,0,0|3,0,0]=4 134 B14R0.529 CCCNC(=O)CCC(=O)OCCC#N 1626a_100020643023_200009922858 [1,0,0,0,0,0|2,0,1]=4 135 B14R0.529 CCCNC(=O)CCC(=O)OCCC#N 240690a_100020643023_200009922858 [1,0,0,0,0,0|2,0,1]=4 136 B14R0.529 CCCNN=C(C)CCC(=O)OCCC 4a_100000740057_100011212339 [1,0,0,0,0,0|3,0,0]=4 137 B14R0.529 CCCNNC(=O)CCC(=O)NCCC 22a_100000740057_100000199543 [1,0,0,0,0,0|3,0,0]=4 138 B14R0.529 CCCOC(=O)OCC(=O)CCCCO 1458a_100000695505_200000139673 [1,0,0,0,0,0|3,0,0]=4 139 B14R0.529 CCCOC(=O)OCC(=O)CCCOC 1458a_100000741012_200000139673 [1,0,0,0,0,0|3,0,0]=4 140 B14R0.529 CCCOC(=O)OCC(=O)CCCSC 1458a_100000173376_200000139673 [1,0,0,0,0,0|3,0,0]=4 141 B14R0.529 CCCOC(=O)OCC(=O)CCOCC 1458a_100000749530_200000139673 [1,0,0,0,0,0|3,0,0]=4 142 B14R0.529 CCCOC(=O)OCC(=O)CCSCC 1458a_100000230768_200000139673 [1,0,0,0,0,0|3,0,0]=4 143 B14R0.529 CCCOC(=O)OCC(=O)CSCCC 1458a_100000217233_200000139673 [1,0,0,0,0,0|3,0,0]=4 144 B14R0.529 CCCOCC(=O)COC(=O)OCCC 1458a_100000745993_200000139673 [1,0,0,0,0,0|3,0,0]=4 145 B14R0.529 COCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000233755 [1,0,0,0,0,0|2,0,1]=4 146 B14R0.529 CSCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000751147 [1,0,0,0,0,0|2,0,1]=4 147 B14R0.529 N#CCCOC(=O)CCC(=O)CCCF 1458a_200009922858_100011934791 [1,0,0,0,0,0|2,0,1]=4 148 B14R0.529 N#CCCOC(=O)CCC(=O)CCCO 1458a_200009922858_100011215043 [1,0,0,0,0,0|2,0,1]=4 149 B16R0.1095 C#CCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000731252 [0,1,0,0,0,0|1,0,2]=4 150 B16R0.1095 C#CCCNC(=O)CCC(=O)OCCCCO 1626a_100000755551_200009914559 [0,1,0,0,0,0|1,0,2]=4 151 B16R0.1095 C#CCCNC(=O)CCC(=O)OCCCCO 240690a_100000755551_200009914559 [0,1,0,0,0,0|1,0,2]=4 152 B16R0.1095 C=CCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000757094 [0,1,0,0,0,0|1,0,2]=4 153 B16R0.1095 C=CCCNC(=O)CCC(=O)OCCCCO 1626a_100015191253_200009914559 [0,1,0,0,0,0|1,0,2]=4 154 B16R0.1095 C=CCCNC(=O)CCC(=O)OCCCCO 240690a_100015191253_200009914559 [0,1,0,0,0,0|1,0,2]=4 155 B16R0.1095 CC#CCNC(=O)CCC(=O)OCCCCO 1626a_100000685387_200009914559 [0,1,0,0,0,0|1,0,2]=4 156 B16R0.1095 CC/C=C\CC(=O)CCC(=O)OCCCCO 1458a_200009914559_100103147603 [0,1,0,0,0,0|1,0,2]=4 157 B16R0.1095 CCC#CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100009813939 [0,1,0,0,0,0|1,0,2]=4 158 B16R0.1095 CCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210326 [0,1,0,0,0,0|1,0,0]=2 159 B16R0.1095 CCCCCC(=O)NNC(=O)COCCCC 22a_100000189784_100000757543 [0,1,0,0,0,0|3,0,0]=4 160 B16R0.1095 CCCCCC(C)CCC(=O)COCCCC 1458a_100000034243_100011995733 [0,1,0,0,0,0|2,0,1]=4 161 B16R0.1095 CCCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210757 [0,1,0,0,0,0|2,0,1]=4 162 B16R0.1095 CCCCCN(C)CCC(=O)COCCCC 1458a_100016987678_100011995733 [0,1,0,0,0,0|3,0,0]=4 163 B16R0.1095 CCCCCNC(=O)C=CC(=O)OCCCC 1626a_100000209983_100015195251 [0,1,0,0,0,0|1,0,2]=4 164 B16R0.1095 CCCCCNC(=O)C=CC(=O)OCCCC 240690a_100000209983_100015195251 [0,1,0,0,0,0|1,0,2]=4 165 B16R0.1095 CCCCCNC(=O)CCC(=O)OCCC#N 1626a_100000209983_200009922858 [0,1,0,0,0,0|2,0,1]=4 166 B16R0.1095 CCCCCNC(=O)CCC(=O)OCCC#N 240690a_100000209983_200009922858 [0,1,0,0,0,0|2,0,1]=4 167 B16R0.1095 CCCCNC(=O)CCC(=O)OCCCCO 1626a_100000102301_200009914559 [0,1,0,0,0,0|1,0,0]=2 168 B16R0.1095 CCCCNC(=O)CCC(=O)OCCCCO 240690a_100000102301_200009914559 [0,1,0,0,0,0|1,0,0]=2 169 B16R0.1095 CCCCNN=C(C)CCC(=O)OCCCC 4a_100025702795_200011212340 [0,1,0,0,0,0|2,0,0]=3 170 B16R0.1095 CCCCNNC(=O)C=CC(=O)OCCCC 22a_100025702795_100015195251 [0,1,0,0,0,0|1,0,2]=4 171 B16R0.1095 CCCCNNC(=O)CCC(=O)OCCC#N 22a_100025702795_200009922858 [0,1,0,0,0,0|2,0,1]=4 172 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCCCO 240690a_100000750430_100015195251 [0,1,0,0,0,0|1,0,2]=4 173 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCCOC 1626a_100150723488_100015195251 [0,1,0,0,0,0|1,0,2]=4 174 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCCOC 240690a_100150723488_100015195251 [0,1,0,0,0,0|1,0,2]=4 175 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCCSC 1626a_100000749238_100015195251 [0,1,0,0,0,0|1,0,2]=4 176 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCCSC 240690a_100000749238_100015195251 [0,1,0,0,0,0|1,0,2]=4 177 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCOCC 1626a_102516460346_100015195251 [0,1,0,0,0,0|1,0,2]=4 178 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCOCC 240690a_100011200944_100015195251 [0,1,0,0,0,0|1,0,2]=4 179 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCSCC 1626a_100000106463_100015195251 [0,1,0,0,0,0|1,0,2]=4 180 B16R0.1095 CCCCOC(=O)C=CC(=O)NCCSCC 240690a_100000106463_100015195251 [0,1,0,0,0,0|1,0,2]=4 181 B16R0.1095 CCCCOCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011995733 [0,1,0,0,0,0|1,0,1]=3 182 B16R0.1095 CCCCOCC(=O)NCC(=O)NCCOC 1626a_100000754632_100000757543 [0,1,0,0,0,0|3,0,0]=4 183 B16R0.1095 CCCCOCC(=O)NCC(=O)NCCOC 240690a_100000754632_100000757543 [0,1,0,0,0,0|3,0,0]=4 184 B16R0.1095 CCCCOCC(=O)NCC(=O)NCCOC 527a_100000754632_100000757543 [0,1,0,0,0,0|3,0,0]=4 185 B16R0.1095 CCCCOCC(C)OCC(=O)OCCCC 34a_100011217071_100000211628 [0,1,0,0,0,0|2,0,1]=4 186 B16R0.1095 CCCCOCC(C)OCC(=O)OCCCC 7a_100011217071_100000211628 [0,1,0,0,0,0|2,0,1]=4 187 B16R0.1095 CCCOCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011215938 [0,1,0,0,0,0|2,0,1]=4 188 B16R0.1095 CCOCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011215890 [0,1,0,0,0,0|2,0,0]=3 189 B16R0.1095 CCOCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100012232248 [0,1,0,0,0,0|2,0,1]=4 190 B16R0.1095 CCOCCNC(=O)CCC(=O)OCCC#N 1626a_102516460346_200009922858 [0,1,0,0,0,0|2,0,1]=4 191 B16R0.1095 CCOCCNC(=O)CCC(=O)OCCC#N 240690a_100011200944_200009922858 [0,1,0,0,0,0|2,0,1]=4 192 B16R0.1095 CCSCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000757381 [0,1,0,0,0,0|2,0,0]=3 193 B16R0.1095 CCSCCNC(=O)CCC(=O)OCCC#N 1626a_100000106463_200009922858 [0,1,0,0,0,0|2,0,1]=4 194 B16R0.1095 CCSCCNC(=O)CCC(=O)OCCC#N 240690a_100000106463_200009922858 [0,1,0,0,0,0|2,0,1]=4 195 B16R0.1095 COCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000740836 [0,1,0,0,0,0|2,0,0]=3 196 B16R0.1095 COCCCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000755781 [0,1,0,0,0,0|2,0,1]=4 197 B16R0.1095 COCCCNC(=O)CCC(=O)OCCC#N 1626a_100150723488_200009922858 [0,1,0,0,0,0|2,0,1]=4 198 B16R0.1095 COCCCNC(=O)CCC(=O)OCCC#N 240690a_100150723488_200009922858 [0,1,0,0,0,0|2,0,1]=4 199 B16R0.1095 COCCNC(=O)CCC(=O)OCCCCO 1626a_100000209980_200009914559 [0,1,0,0,0,0|2,0,0]=3 200 B16R0.1095 COCCNC(=O)CCC(=O)OCCCCO 240690a_100000209980_200009914559 [0,1,0,0,0,0|2,0,0]=3 201 B16R0.1095 CSCCCNC(=O)CCC(=O)OCCC#N 1626a_100000749238_200009922858 [0,1,0,0,0,0|2,0,1]=4 202 B16R0.1095 CSCCCNC(=O)CCC(=O)OCCC#N 240690a_100000749238_200009922858 [0,1,0,0,0,0|2,0,1]=4 203 B16R0.1095 CSCCNC(=O)CCC(=O)OCCCCO 1626a_100020590264_200009914559 [0,1,0,0,0,0|2,0,0]=3 204 B16R0.1095 CSCCNC(=O)CCC(=O)OCCCCO 240690a_100020590264_200009914559 [0,1,0,0,0,0|2,0,0]=3 205 B16R0.1095 N#CCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000211468 [0,1,0,0,0,0|2,0,1]=4 206 B16R0.1095 N#CCCNC(=O)CCC(=O)OCCCCO 1626a_100000720768_200009914559 [0,1,0,0,0,0|2,0,1]=4 207 B16R0.1095 N#CCCNC(=O)CCC(=O)OCCCCO 240690a_100000720768_200009914559 [0,1,0,0,0,0|2,0,1]=4 208 B16R0.1095 N#CCCOC(=O)CCC(=O)CCCCCF 1458a_200009922858_100000729378 [0,1,0,0,0,0|2,0,1]=4 209 B16R0.1095 N#CCCOC(=O)CCC(=O)CCCCCO 1458a_200009922858_100000746330 [0,1,0,0,0,0|2,0,1]=4 210 B16R0.1095 N#CCCOC(=O)CCC(=O)NCCCCO 240690a_100000750430_200009922858 [0,1,0,0,0,0|2,0,1]=4 211 B16R0.1095 O=C(CCC(=O)OCCCCO)NCCCF 1626a_100015189416_200009914559 [0,1,0,0,0,0|2,0,0]=3 212 B16R0.1095 O=C(CCC(=O)OCCCCO)NCCCF 240690a_100015189416_200009914559 [0,1,0,0,0,0|2,0,0]=3 213 B16R0.1095 O=C(CCC(=O)OCCCCO)NCCCO 240690a_100000182051_200009914559 [0,1,0,0,0,0|2,0,0]=3 214 B16R0.1095 O=C(CCCCF)CCC(=O)OCCCCO 1458a_200009914559_100000729493 [0,1,0,0,0,0|2,0,0]=3 215 B16R0.1095 O=C(CCCCO)CCC(=O)OCCCCO 1458a_200009914559_100000210776 [0,1,0,0,0,0|2,0,0]=3 216 B16R0.1468 CC(C)CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011214892 [0,1,0,0,0,0|2,0,1]=4 217 B16R0.1468 CC(C)CCNC(=O)CCC(=O)OCCC#N 1626a_100000210545_200009922858 [0,1,0,0,0,0|2,0,1]=4 218 B16R0.1468 CC(C)CCNC(=O)CCC(=O)OCCC#N 240690a_100000210545_200009922858 [0,1,0,0,0,0|2,0,1]=4 219 B16R0.1468 CC(O)CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_200000718107 [0,1,0,0,0,0|2,0,1]=4 220 B16R0.1468 CC(O)CCNC(=O)CCC(=O)OCCC#N 240690a_200000755665_200009922858 [0,1,0,0,0,0|2,0,1]=4 221 B16R0.1468 CCCCOC(=O)C=CC(=O)NCCC(C)C 1626a_100000210545_100015195251 [0,1,0,0,0,0|1,0,2]=4 222 B16R0.1468 CCCCOC(=O)C=CC(=O)NCCC(C)C 240690a_100000210545_100015195251 [0,1,0,0,0,0|1,0,2]=4 223 B16R0.1468 CCCCOC(=O)C=CC(=O)NCCC(C)O 240690a_200000755665_100015195251 [0,1,0,0,0,0|1,0,2]=4 224 B16R0.1468 CCCCOC(=O)CCC(=NNCC(C)O)C 4a_200000730056_200011212340 [0,1,0,0,0,0|3,0,0]=4 225 B16R0.3258 CCCC(C)CC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011216630 [0,1,0,0,0,0|2,0,1]=4 226 B16R0.3258 CCCC(C)NC(=O)CCC(=O)OCCC#N 1626a_100000741246_200009922858 [0,1,0,0,0,0|2,0,1]=4 227 B16R0.3258 CCCC(C)NC(=O)CCC(=O)OCCC#N 240690a_100000741246_200009922858 [0,1,0,0,0,0|2,0,1]=4 228 B16R0.3258 CCCCOC(=O)C=CC(=O)NC(C)CCC 1626a_100000741246_100015195251 [0,1,0,0,0,0|1,0,2]=4 229 B16R0.3258 CCCCOC(=O)C=CC(=O)NC(C)CCC 240690a_100000741246_100015195251 [0,1,0,0,0,0|1,0,2]=4 230 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCCC 1626a_100000102301_100000049090 [0,1,0,0,0,0|1,0,1]=3 231 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCCC 240690a_100000102301_100000049090 [0,1,0,0,0,0|1,0,1]=3 232 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCCF 1626a_100015189416_100000049090 [0,1,0,0,0,0|2,0,1]=4 233 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCCF 240690a_100015189416_100000049090 [0,1,0,0,0,0|2,0,1]=4 234 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCCO 240690a_100000182051_100000049090 [0,1,0,0,0,0|2,0,1]=4 235 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCOC 1626a_100000209980_100000049090 [0,1,0,0,0,0|2,0,1]=4 236 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCOC 240690a_100000209980_100000049090 [0,1,0,0,0,0|2,0,1]=4 237 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCSC 1626a_100020590264_100000049090 [0,1,0,0,0,0|2,0,1]=4 238 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NCCSC 240690a_100020590264_100000049090 [0,1,0,0,0,0|2,0,1]=4 239 B16R0.6554 C=C(CC(=O)OCCCC)C(=O)NNCCC 22a_100000740057_100000049090 [0,1,0,0,0,0|2,0,1]=4 240 B16R0.6554 CCCCCC(=O)N(C)CC(=O)NCCCC 1626a_200000213093_100000212188 [0,1,0,0,0,0|3,0,0]=4 241 B16R0.6554 CCCCCC(=O)N(C)CC(=O)NCCCC 240690a_200000213093_100000212188 [0,1,0,0,0,0|3,0,0]=4 242 B16R0.6554 CCCCCC(=O)N(C)CC(=O)NCCCC 527a_200000213093_100000212188 [0,1,0,0,0,0|3,0,0]=4 243 B16R0.6554 CCCCNC(=O)CN(C)C(=O)NCCCC 2708a_100000102301_200000213093 [0,1,0,0,0,0|3,0,0]=4 244 B16R0.6554 CCCCNC(=O)CN(C)C(=O)NCCCC 273464a_100000102301_200000213093 [0,1,0,0,0,0|3,0,0]=4 245 B16R0.7062 CCC(C)CNC(=O)CCC(=O)OCCC#N 1626a_100020588543_200009922858 [0,1,0,0,0,0|2,0,1]=4 246 B16R0.7062 CCC(C)CNC(=O)CCC(=O)OCCC#N 240690a_100020588543_200009922858 [0,1,0,0,0,0|2,0,1]=4 247 B16R0.7062 CCC(O)CNC(=O)CCC(=O)OCCC#N 240690a_100011218483_200009922858 [0,1,0,0,0,0|2,0,1]=4 248 B16R0.7062 CCCCOC(=O)C=CC(=O)NCC(C)CC 1626a_100020588543_100015195251 [0,1,0,0,0,0|1,0,2]=4 249 B16R0.7062 CCCCOC(=O)C=CC(=O)NCC(C)CC 240690a_100020588543_100015195251 [0,1,0,0,0,0|1,0,2]=4 250 B16R0.7062 CCCCOC(=O)C=CC(=O)NCC(O)CC 240690a_100011218483_100015195251 [0,1,0,0,0,0|1,0,2]=4 251 B16R0.7062 CCCCOC(=O)CCC(=NNC(C)CC)C 4a_100000718999_200011212340 [0,1,0,0,0,0|3,0,0]=4 252 B16R0.7063 CCCCC(C)C(=O)CCC(=O)OCCC#N 1458a_200009922858_200011215066 [0,1,0,0,0,0|2,0,1]=4 253 B16R0.7063 CCCCN(C)C(=O)CCC(=O)OCCC#N 1626a_100000207549_200009922858 [0,1,0,0,0,0|2,0,1]=4 254 B16R0.7063 CCCCN(C)C(=O)CCC(=O)OCCC#N 240690a_100000207549_200009922858 [0,1,0,0,0,0|2,0,1]=4 255 B16R0.7063 CCCCOC(=O)C=CC(=O)N(C)CCCC 1626a_100000207549_100015195251 [0,1,0,0,0,0|1,0,2]=4 256 B16R0.7063 CCCCOC(=O)C=CC(=O)N(C)CCCC 240690a_100000207549_100015195251 [0,1,0,0,0,0|1,0,2]=4 257 B16R1.1259 CCCC#CC(=O)CCC(=O)N1CCCC1 1458a_200011218047_100011194422 [0,0,0,1,0,0|2,0,1]=4 258 B16R1.1259 CCCC=CC(=O)CCC(=O)N1CCCC1 1458a_100000212230_100011194422 [0,0,0,1,0,0|2,0,1]=4 259 B16R1.1259 CCCCCC(=O)CCC(=O)N1CCCC1 1458a_100000212188_100011194422 [0,0,0,1,0,0|2,0,0]=3 260 B16R1.1259 CCCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210326 [0,0,0,1,0,0|2,0,0]=3 261 B16R1.1259 CCCCCC(=O)NCC(=O)N1CCCC1 11a_100000751844_100000212188 [0,0,0,1,0,0|3,0,0]=4 262 B16R1.1259 CCCCCC(=O)NCC(=O)N1CCCC1 1626a_100000751844_100000212188 [0,0,0,1,0,0|3,0,0]=4 263 B16R1.1259 CCCCCC(=O)NCC(=O)N1CCCC1 240690a_100000751844_100000212188 [0,0,0,1,0,0|3,0,0]=4 264 B16R1.1259 CCCCCC(=O)NCC(=O)N1CCCC1 527a_100000751844_100000212188 [0,0,0,1,0,0|3,0,0]=4 265 B16R1.1259 CCCCNC(=O)CCC(=O)N1CCCC1 11a_100000102301_200000187315 [0,0,0,1,0,0|2,0,0]=3 266 B16R1.1259 CCCCNC(=O)CCC(=O)N1CCCC1 1626a_100000102301_200000187315 [0,0,0,1,0,0|2,0,0]=3 267 B16R1.1259 CCCCNC(=O)CCC(=O)N1CCCC1 240690a_100000102301_200000187315 [0,0,0,1,0,0|2,0,0]=3 268 B16R1.1259 CCCCNC(=O)NCC(=O)N1CCCC1 2708a_100000102301_100000751844 [0,0,0,1,0,0|3,0,0]=4 269 B16R1.1259 CCCCNC(=O)NCC(=O)N1CCCC1 2708a_100000751844_100000102301 [0,0,0,1,0,0|3,0,0]=4 270 B16R1.1259 CCCCNC(=O)NCC(=O)N1CCCC1 273464a_100000102301_100000751844 [0,0,0,1,0,0|3,0,0]=4 271 B16R1.1259 CCCCNC(=O)NCC(=O)N1CCCC1 273464a_100000751844_100000102301 [0,0,0,1,0,0|3,0,0]=4 272 B16R1.1259 CCCCNC(=O)NCC(=O)N1CCCC1 512a_100000102301_100000751844 [0,0,0,1,0,0|3,0,0]=4 273 B16R1.1259 CCCCNC(=O)NCC(=O)N1CCCC1 512a_100000751844_100000102301 [0,0,0,1,0,0|3,0,0]=4 274 B16R1.1259 CCCCOC(=O)C=CC(=O)N1CCCC1 240690a_100000188435_100015195251 [0,0,0,1,0,0|1,0,2]=4 275 B16R1.1259 CCCNNC(=O)CCC(=O)N1CCCC1 22a_100000740057_200000187315 [0,0,0,1,0,0|3,0,0]=4 276 B16R1.1259 CCCOCC(=O)CCC(=O)N1CCCC1 1458a_100000745993_100011194422 [0,0,0,1,0,0|3,0,0]=4 277 B16R1.1259 CCCSCC(=O)CCC(=O)N1CCCC1 1458a_100000217233_100011194422 [0,0,0,1,0,0|3,0,0]=4 278 B16R1.1259 CCOCCC(=O)CCC(=O)N1CCCC1 1458a_100000749530_100011194422 [0,0,0,1,0,0|3,0,0]=4 279 B16R1.1259 CCOCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100011215890 [0,0,0,1,0,0|3,0,0]=4 280 B16R1.1259 CCSCCC(=O)CCC(=O)N1CCCC1 1458a_100000230768_100011194422 [0,0,0,1,0,0|3,0,0]=4 281 B16R1.1259 CCSCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000757381 [0,0,0,1,0,0|3,0,0]=4 282 B16R1.1259 COCCCC(=O)CCC(=O)N1CCCC1 1458a_100000741012_100011194422 [0,0,0,1,0,0|3,0,0]=4 283 B16R1.1259 COCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000740836 [0,0,0,1,0,0|3,0,0]=4 284 B16R1.1259 COCCNC(=O)CCC(=O)N1CCCC1 1626a_100000209980_200000187315 [0,0,0,1,0,0|3,0,0]=4 285 B16R1.1259 COCCNC(=O)CCC(=O)N1CCCC1 240690a_100000209980_200000187315 [0,0,0,1,0,0|3,0,0]=4 286 B16R1.1259 CSCCCC(=O)CCC(=O)N1CCCC1 1458a_100000173376_100011194422 [0,0,0,1,0,0|3,0,0]=4 287 B16R1.1259 CSCCNC(=O)CCC(=O)N1CCCC1 11a_100020590264_200000187315 [0,0,0,1,0,0|3,0,0]=4 288 B16R1.1259 CSCCNC(=O)CCC(=O)N1CCCC1 1626a_100020590264_200000187315 [0,0,0,1,0,0|3,0,0]=4 289 B16R1.1259 CSCCNC(=O)CCC(=O)N1CCCC1 240690a_100020590264_200000187315 [0,0,0,1,0,0|3,0,0]=4 290 B16R1.1259 N#CCCOC(=O)CCC(=O)C1CCCC1 1458a_200009922858_100000179811 [0,0,0,1,0,0|2,0,1]=4 291 B16R1.1259 N#CCCOC(=O)CCC(=O)N1CCCC1 240690a_100000188435_200009922858 [0,0,0,1,0,0|2,0,1]=4 292 B16R1.1259 O=C(CCC(=O)N1CCCC1)NCCCF 11a_100015189416_200000187315 [0,0,0,1,0,0|3,0,0]=4 293 B16R1.1259 O=C(CCC(=O)N1CCCC1)NCCCF 1626a_100015189416_200000187315 [0,0,0,1,0,0|3,0,0]=4 294 B16R1.1259 O=C(CCC(=O)N1CCCC1)NCCCF 240690a_100015189416_200000187315 [0,0,0,1,0,0|3,0,0]=4 295 B16R1.1259 O=C(CCC(=O)N1CCCC1)NCCCO 240690a_100000182051_200000187315 [0,0,0,1,0,0|3,0,0]=4 296 B16R1.1259 O=C(CCCCF)CCC(=O)N1CCCC1 1458a_200000187315_100000729493 [0,0,0,1,0,0|3,0,0]=4 297 B16R1.1259 O=C(CCCCO)CCC(=O)N1CCCC1 1458a_100000695505_100011194422 [0,0,0,1,0,0|3,0,0]=4 298 B16R1.1259 O=C(CCCCO)CCC(=O)N1CCCC1 1458a_200000187315_100000210776 [0,0,0,1,0,0|3,0,0]=4 299 B16R1.1695 CCCCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210326 [0,0,0,1,0,0|3,0,0]=4 300 B16R1.1695 CCCCCC(=O)NC1CCCCNC1=O 11a_100000698827_100000212188 [0,0,0,1,0,0|3,0,0]=4 301 B16R1.1695 CCCCCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000212188 [0,0,0,1,0,0|3,0,0]=4 302 B16R1.1695 CCCCCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000212188 [0,0,0,1,0,0|3,0,0]=4 303 B16R1.1695 CCCCCC(=O)NC1CCCCNC1=O 527a_100000698827_100000212188 [0,0,0,1,0,0|3,0,0]=4 304 B16R1.1695 CCCCNC(=O)CN1CCCCCC1=O 11a_100000102301_100000181294 [0,0,0,1,0,0|3,0,0]=4 305 B16R1.1695 CCCCNC(=O)CN1CCCCCC1=O 1626a_100000102301_100000181294 [0,0,0,1,0,0|3,0,0]=4 306 B16R1.1695 CCCCNC(=O)CN1CCCCCC1=O 240690a_100000102301_100000181294 [0,0,0,1,0,0|3,0,0]=4 307 B16R1.1695 CCCCNC(=O)CN1CCCCCC1=O 527a_100000102301_100000181294 [0,0,0,1,0,0|3,0,0]=4 308 B16R1.1695 CCCCNC(=O)NC1CCCCNC1=O 2708a_100000102301_100000698827 [0,0,0,1,0,0|3,0,0]=4 309 B16R1.1695 CCCCNC(=O)NC1CCCCNC1=O 273464a_100000102301_100000698827 [0,0,0,1,0,0|3,0,0]=4 310 B16R1.1695 CCCCNC(=O)NC1CCCCNC1=O 273464a_100000698827_100000102301 [0,0,0,1,0,0|3,0,0]=4 311 B16R1.1695 CCCCNC(=O)NC1CCCCNC1=O 512a_100000102301_100000698827 [0,0,0,1,0,0|3,0,0]=4 312 B16R1.1695 CCCCNC(=O)NC1CCCCNC1=O 512a_100000698827_100000102301 [0,0,0,1,0,0|3,0,0]=4 313 B16R1.17945 CCCCOC(=O)C=CC(=O)NC1CCC1 1626a_100000749019_100015195251 [0,0,0,1,0,0|1,0,2]=4 314 B16R1.17945 CCCCOC(=O)C=CC(=O)NC1CCC1 240690a_100000749019_100015195251 [0,0,0,1,0,0|1,0,2]=4 315 B16R1.17945 N#CCCOC(=O)CCC(=O)CC1CCC1 1458a_200009922858_100000763275 [0,0,0,1,0,0|2,0,1]=4 316 B16R1.17945 N#CCCOC(=O)CCC(=O)NC1CCC1 1626a_100000749019_200009922858 [0,0,0,1,0,0|2,0,1]=4 317 B16R1.17945 N#CCCOC(=O)CCC(=O)NC1CCC1 240690a_100000749019_200009922858 [0,0,0,1,0,0|2,0,1]=4 318 B16R1.17946 CCCCOC(=O)C=CC(=O)NCC1CC1 1626a_100000735609_100015195251 [0,0,0,1,0,0|1,0,2]=4 319 B16R1.17946 CCCCOC(=O)C=CC(=O)NCC1CC1 240690a_100000735609_100015195251 [0,0,0,1,0,0|1,0,2]=4 320 B16R1.17946 CCCCOC(=O)CCC(=NNC1CC1)C 4a_100000701032_200011212340 [0,0,0,1,0,0|3,0,0]=4 321 B16R1.17946 N#CCCOC(=O)CCC(=O)CCC1CC1 1458a_200009922858_100000694398 [0,0,0,1,0,0|2,0,1]=4 322 B16R1.17946 N#CCCOC(=O)CCC(=O)NCC1CC1 1626a_100000735609_200009922858 [0,0,0,1,0,0|2,0,1]=4 323 B16R1.17946 N#CCCOC(=O)CCC(=O)NCC1CC1 240690a_100000735609_200009922858 [0,0,0,1,0,0|2,0,1]=4 324 B16R1.17947 CC1CCN1C(=O)CCC(=O)OCCC#N 240690a_100000755817_200009922858 [0,0,0,1,0,0|2,0,1]=4 325 B16R1.17947 CCCCOC(=O)C=CC(=O)N1CCC1C 240690a_100000755817_100015195251 [0,0,0,1,0,0|1,0,2]=4 326 B14R0.1444 C#CCCCC(=O)CC(=O)OCCCC 1458a_100000690238_100000211628 [0,0,0,0,1,0|1,0,2]=4 327 B14R0.1444 C=CCCCC(=O)CC(=O)OCCCC 1458a_100000766728_100000211628 [0,0,0,0,1,0|1,0,2]=4 328 B14R0.1444 CC/C=C/CC(=O)CC(=O)OCCCC 1458a_100016274230_100000211628 [0,0,0,0,1,0|1,0,2]=4 329 B14R0.1444 CCCC#CC(=O)CC(=O)CCCCC 1458a_200011218047_200012276598 [0,0,0,0,1,0|2,0,1]=4 330 B14R0.1444 CCCC#CC(=O)CC(=O)NCCCC 1458a_200011218047_100000182744 [0,0,0,0,1,0|2,0,1]=4 331 B14R0.1444 CCCC#CC(=O)CC(=O)OCCCC 1458a_200011218047_100000211628 [0,0,0,0,1,0|1,0,1]=3 332 B14R0.1444 CCCC#CC(=O)CC(=O)OCCOC 1458a_200011218047_200000040189 [0,0,0,0,1,0|2,0,1]=4 333 B14R0.1444 CCCC=CC(=O)CC(=O)CCCCC 1458a_100000212230_200012276598 [0,0,0,0,1,0|2,0,1]=4 334 B14R0.1444 CCCC=CC(=O)CC(=O)NCCCC 1458a_100000212230_100000182744 [0,0,0,0,1,0|2,0,1]=4 335 B14R0.1444 CCCC=CC(=O)CC(=O)OCCCC 1458a_100000212230_100000211628 [0,0,0,0,1,0|1,0,1]=3 336 B14R0.1444 CCCC=CC(=O)CC(=O)OCCOC 1458a_100000212230_200000040189 [0,0,0,0,1,0|2,0,1]=4 337 B14R0.1444 CCCCCC(=O)CC(=O)CCCCC 1458a_100000212188_200012276598 [0,0,0,0,1,0|2,0,0]=3 338 B14R0.1444 CCCCCC(=O)CC(=O)CCCCO 1458a_100000695505_200012276598 [0,0,0,0,1,0|3,0,0]=4 339 B14R0.1444 CCCCCC(=O)CC(=O)CCCOC 1458a_100000741012_200012276598 [0,0,0,0,1,0|3,0,0]=4 340 B14R0.1444 CCCCCC(=O)CC(=O)CCCSC 1458a_100000173376_200012276598 [0,0,0,0,1,0|3,0,0]=4 341 B14R0.1444 CCCCCC(=O)CC(=O)CCOCC 1458a_100000749530_200012276598 [0,0,0,0,1,0|3,0,0]=4 342 B14R0.1444 CCCCCC(=O)CC(=O)CCSCC 1458a_100000230768_200012276598 [0,0,0,0,1,0|3,0,0]=4 343 B14R0.1444 CCCCCC(=O)CC(=O)COCCC 1458a_100000745993_200012276598 [0,0,0,0,1,0|3,0,0]=4 344 B14R0.1444 CCCCCC(=O)CC(=O)CSCCC 1458a_100000217233_200012276598 [0,0,0,0,1,0|3,0,0]=4 345 B14R0.1444 CCCCCC(=O)CC(=O)NCCCC 1458a_100000212188_100000182744 [0,0,0,0,1,0|2,0,0]=3 346 B14R0.1444 CCCCCC(=O)CC(=O)NCCOC 1458a_100000212188_100000183275 [0,0,0,0,1,0|3,0,0]=4 347 B14R0.1444 CCCCCC(=O)CC(=O)OCCCC 1458a_100000212188_100000211628 [0,0,0,0,1,0|1,0,0]=2 348 B14R0.1444 CCCCCC(=O)CC(=O)OCCOC 1458a_100000212188_200000040189 [0,0,0,0,1,0|2,0,0]=3 349 B14R0.1444 CCCCCN(C)CC(=O)OCCCC 2230a_100000223495_100000211628 [0,0,0,0,1,0|3,0,0]=4 350 B14R0.1444 CCCCCN(C)CC(=O)OCCCC 269982a_100000223495_100000211628 [0,0,0,0,1,0|3,0,0]=4 351 B14R0.1444 CCCCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000182744 [0,0,0,0,1,0|3,0,0]=4 352 B14R0.1444 CCCCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000182744 [0,0,0,0,1,0|3,0,0]=4 353 B14R0.1444 CCCCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000182744 [0,0,0,0,1,0|3,0,0]=4 354 B14R0.1444 CCCCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000182744 [0,0,0,0,1,0|3,0,0]=4 355 B14R0.1444 CCCCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000182744 [0,0,0,0,1,0|3,0,0]=4 356 B14R0.1444 CCCCNC(=O)CC(=O)COCCC 1458a_100000745993_100000182744 [0,0,0,0,1,0|3,0,0]=4 357 B14R0.1444 CCCCNC(=O)CC(=O)CSCCC 1458a_100000217233_100000182744 [0,0,0,0,1,0|3,0,0]=4 358 B14R0.1444 CCCCOC(=O)CC(=NNCCC)C 4a_100000740057_200000022843 [0,0,0,0,1,0|3,0,0]=4 359 B14R0.1444 CCCCOC(=O)CC(=O)C=CCOC 1458a_100016285016_100000211628 [0,0,0,0,1,0|2,0,1]=4 360 B14R0.1444 CCCCOC(=O)CC(=O)C=COCC 1458a_100016266692_100000211628 [0,0,0,0,1,0|2,0,1]=4 361 B14R0.1444 CCCCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000211628 [0,0,0,0,1,0|2,0,1]=4 362 B14R0.1444 CCCCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000211628 [0,0,0,0,1,0|2,0,0]=3 363 B14R0.1444 CCCCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000211628 [0,0,0,0,1,0|2,0,0]=3 364 B14R0.1444 CCCCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000211628 [0,0,0,0,1,0|2,0,0]=3 365 B14R0.1444 CCCCOC(=O)CC(=O)CCOCC 1458a_100000749530_100000211628 [0,0,0,0,1,0|2,0,0]=3 366 B14R0.1444 CCCCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000211628 [0,0,0,0,1,0|2,0,0]=3 367 B14R0.1444 CCCCOC(=O)CC(=O)COCCC 1458a_100000745993_100000211628 [0,0,0,0,1,0|2,0,0]=3 368 B14R0.1444 CCCCOC(=O)CC(=O)COCCO 1458a_100000708028_100000211628 [0,0,0,0,1,0|3,0,0]=4 369 B14R0.1444 CCCCOC(=O)CC(=O)CSCCC 1458a_100000217233_100000211628 [0,0,0,0,1,0|2,0,0]=3 370 B14R0.1444 CCCOCC(=O)CC(=O)OCCOC 1458a_100000745993_200000040189 [0,0,0,0,1,0|3,0,0]=4 371 B14R0.1444 CCCSCC(=O)CC(=O)OCCOC 1458a_100000217233_200000040189 [0,0,0,0,1,0|3,0,0]=4 372 B14R0.1444 CCOCCC(=O)CC(=O)OCCOC 1458a_100000749530_200000040189 [0,0,0,0,1,0|3,0,0]=4 373 B14R0.1444 CCSCCC(=O)CC(=O)OCCOC 1458a_100000230768_200000040189 [0,0,0,0,1,0|3,0,0]=4 374 B14R0.1444 COCCCC(=O)CC(=O)OCCOC 1458a_100000741012_200000040189 [0,0,0,0,1,0|3,0,0]=4 375 B14R0.1444 COCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200000040189 [0,0,0,0,1,0|3,0,0]=4 376 B14R0.1444 COCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200000040189 [0,0,0,0,1,0|3,0,0]=4 377 B16R0.208 CCCCCC(=O)CNCC(=O)NCCOC 2230a_100000754632_200012276598 [0,0,0,0,0,1|3,0,0]=4 378 B16R0.208 CCCCCC(=O)CSCC(=O)CCCCC 62a_200012276598_200012276598 [0,0,0,0,0,1|2,0,0]=3 379 B16R0.208 CCCCCC(=O)CSCC(=O)NCCCC 62a_100000182744_200012276598 [0,0,0,0,0,1|2,0,0]=3 380 B16R0.208 CCCCCC(=O)CSCC(=O)NCCCC 62a_200012276598_100000182744 [0,0,0,0,0,1|2,0,0]=3 381 B16R0.208 CCCCCC(=O)CSCC(=O)NCCOC 62a_100000183275_200012276598 [0,0,0,0,0,1|3,0,0]=4 382 B16R0.208 CCCCCC(=O)CSCC(=O)NCCOC 62a_200012276598_100000183275 [0,0,0,0,0,1|3,0,0]=4 383 B16R0.208 CCCCCC(=O)CSCC(=O)OCCCC 62a_100000211628_200012276598 [0,0,0,0,0,1|1,0,0]=2 384 B16R0.208 CCCCCC(=O)CSCC(=O)OCCCC 62a_200012276598_100000211628 [0,0,0,0,0,1|1,0,0]=2 385 B16R0.208 CCCCCC(=O)CSCC(=O)OCCOC 62a_200000040189_200012276598 [0,0,0,0,0,1|2,0,0]=3 386 B16R0.208 CCCCCC(=O)CSCC(=O)OCCOC 62a_200012276598_200000040189 [0,0,0,0,0,1|2,0,0]=3 387 B16R0.208 CCCCNC(=O)CNCC(=O)NCCOC 2230a_100000754632_100000182744 [0,0,0,0,0,1|3,0,0]=4 388 B16R0.208 CCCCNC(=O)CSCC(=O)NCCCC 62a_100000182744_100000182744 [0,0,0,0,0,1|2,0,0]=3 389 B16R0.208 CCCCNC(=O)CSCC(=O)NCCOC 62a_100000182744_100000183275 [0,0,0,0,0,1|3,0,0]=4 390 B16R0.208 CCCCNC(=O)CSCC(=O)NCCOC 62a_100000183275_100000182744 [0,0,0,0,0,1|3,0,0]=4 391 B16R0.208 CCCCNC(=O)CSCC(=O)OCCCC 62a_100000182744_100000211628 [0,0,0,0,0,1|1,0,0]=2 392 B16R0.208 CCCCNC(=O)CSCC(=O)OCCCC 62a_100000211628_100000182744 [0,0,0,0,0,1|1,0,0]=2 393 B16R0.208 CCCCNC(=O)CSCC(=O)OCCOC 62a_100000182744_200000040189 [0,0,0,0,0,1|2,0,0]=3 394 B16R0.208 CCCCNC(=O)CSCC(=O)OCCOC 62a_200000040189_100000182744 [0,0,0,0,0,1|2,0,0]=3 395 B16R0.208 CCCCOC(=O)CNCC(=O)NCCOC 2230a_100000754632_100000211628 [0,0,0,0,0,1|2,0,0]=3 396 B16R0.208 CCCCOC(=O)CSCC(=O)NCCOC 62a_100000183275_100000211628 [0,0,0,0,0,1|2,0,0]=3 397 B16R0.208 CCCCOC(=O)CSCC(=O)NCCOC 62a_100000211628_100000183275 [0,0,0,0,0,1|2,0,0]=3 398 B16R0.208 CCCCOC(=O)CSCC(=O)OCCCC 62a_100000211628_100000211628 [0,0,0,0,0,1|0,0,0]=1 399 B16R0.208 CCCCOC(=O)CSCC(=O)OCCOC 62a_100000211628_200000040189 [0,0,0,0,0,1|1,0,0]=2 400 B16R0.208 CCCCOC(=O)CSCC(=O)OCCOC 62a_200000040189_100000211628 [0,0,0,0,0,1|1,0,0]=2 401 B16R0.208 COCCNC(=O)CNCC(=O)OCCOC 2230a_100000754632_200000040189 [0,0,0,0,0,1|3,0,0]=4 402 B16R0.208 COCCNC(=O)CSCC(=O)OCCOC 62a_100000183275_200000040189 [0,0,0,0,0,1|3,0,0]=4 403 B16R0.208 COCCNC(=O)CSCC(=O)OCCOC 62a_200000040189_100000183275 [0,0,0,0,0,1|3,0,0]=4 404 B16R0.208 COCCOC(=O)CSCC(=O)OCCOC 62a_200000040189_200000040189 [0,0,0,0,0,1|2,0,0]=3 405 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [2,0,0,0,0,0|1,0,1]=4 406 B13R0.66 CCCCC/C=C/CC(=O)CCCC 1458a_100020675968_100000210211 [2,0,0,0,0,0|1,0,1]=4 407 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [2,0,0,0,0,0|1,0,1]=4 408 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [2,0,0,0,0,0|1,0,1]=4 409 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [2,0,0,0,0,0|1,0,1]=4 410 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [2,0,0,0,0,0|1,0,1]=4 411 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [2,0,0,0,0,0|1,0,1]=4 412 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [2,0,0,0,0,0|0,0,2]=4 413 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [2,0,0,0,0,0|0,0,2]=4 414 B13R0.338 CCCC#CC(=O)CCOCCCC 1458a_200011218047_100000743108 [2,0,0,0,0,0|1,0,1]=4 415 B13R0.338 CCCC/C=C/CC(=O)CCCCC 1458a_200016282684_100000210326 [2,0,0,0,0,0|1,0,1]=4 416 B13R0.338 CCCC/C=C/CC(=O)NCCCC 11a_100000102301_200016282684 [2,0,0,0,0,0|1,0,1]=4 417 B13R0.338 CCCC/C=C/CC(=O)NCCCC 1626a_100000102301_200016282684 [2,0,0,0,0,0|1,0,1]=4 418 B13R0.338 CCCC/C=C/CC(=O)NCCCC 240690a_100000102301_200016282684 [2,0,0,0,0,0|1,0,1]=4 419 B13R0.338 CCCC/C=C/CC(=O)NCCCC 527a_100000102301_200016282684 [2,0,0,0,0,0|1,0,1]=4 420 B13R0.338 CCCC=CC(=O)CCOCCCC 1458a_100000212230_100000743108 [2,0,0,0,0,0|1,0,1]=4 421 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [2,0,0,0,0,0|1,0,0]=3 422 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000212188_100000695917 [2,0,0,0,0,0|2,0,0]=4 423 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000745395_100000210326 [2,0,0,0,0,0|2,0,0]=4 424 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [2,0,0,0,0,0|1,0,1]=4 425 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [2,0,0,0,0,0|1,0,1]=4 426 B13R0.338 CCCCCCCC(=O)NCCCC 11a_100000102301_100000211969 [2,0,0,0,0,0|1,0,1]=4 427 B13R0.338 CCCCCCCC(=O)NCCCC 1626a_100000102301_100000211969 [2,0,0,0,0,0|1,0,1]=4 428 B13R0.338 CCCCCCCC(=O)NCCCC 240690a_100000102301_100000211969 [2,0,0,0,0,0|1,0,1]=4 429 B13R0.338 CCCCCCCC(=O)NCCCC 527a_100000102301_100000211969 [2,0,0,0,0,0|1,0,1]=4 430 B13R0.338 CCCCCCCC(=O)OCNCC 2230a_100015525214_100009852258 [2,0,0,0,0,0|1,0,1]=4 431 B13R0.338 CCCCCCCC(=O)OCOCC 34a_100121572206_100009852258 [2,0,0,0,0,0|1,0,1]=4 432 B13R0.338 CCCCCCCC(=O)OCSCC 62a_100000210202_100009852258 [2,0,0,0,0,0|1,0,1]=4 433 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [2,0,0,0,0,0|1,0,1]=4 434 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [2,0,0,0,0,0|1,0,1]=4 435 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [2,0,0,0,0,0|1,0,1]=4 436 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [2,0,0,0,0,0|1,0,1]=4 437 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [2,0,0,0,0,0|1,0,1]=4 438 B13R0.338 CCCCNC(=O)CCOCCOC 11a_100000102301_100000745395 [2,0,0,0,0,0|2,0,0]=4 439 B13R0.338 CCCCNC(=O)CCOCCOC 1626a_100000102301_100000745395 [2,0,0,0,0,0|2,0,0]=4 440 B13R0.338 CCCCNC(=O)CCOCCOC 240690a_100000102301_100000745395 [2,0,0,0,0,0|2,0,0]=4 441 B13R0.338 CCCCNC(=O)CCOCCOC 527a_100000102301_100000745395 [2,0,0,0,0,0|2,0,0]=4 442 B13R0.338 CCCCOCCC(=O)CCCCO 1458a_100000695505_100000743108 [2,0,0,0,0,0|2,0,0]=4 443 B13R0.338 CCCCOCCC(=O)CCCOC 1458a_100000741012_100000743108 [2,0,0,0,0,0|2,0,0]=4 444 B13R0.338 CCCCOCCC(=O)CCCSC 1458a_100000173376_100000743108 [2,0,0,0,0,0|2,0,0]=4 445 B13R0.338 CCCCOCCC(=O)CCOCC 1458a_100000749530_100000743108 [2,0,0,0,0,0|2,0,0]=4 446 B13R0.338 CCCCOCCC(=O)CCSCC 1458a_100000230768_100000743108 [2,0,0,0,0,0|2,0,0]=4 447 B13R0.338 CCCCOCCC(=O)COCCC 1458a_100000745993_100000743108 [2,0,0,0,0,0|2,0,0]=4 448 B13R0.338 CCCCOCCC(=O)CSCCC 1458a_100000217233_100000743108 [2,0,0,0,0,0|2,0,0]=4 449 B13R0.176 CCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210211 [2,0,0,0,0,0|1,0,0]=3 450 B13R0.176 CCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210211 [2,0,0,0,0,0|1,0,1]=4 451 B13R0.176 CCCCC(=O)COC(=O)OCCC 1458a_100000210183_200000139673 [2,0,0,0,0,0|1,0,0]=3 452 B13R0.176 CCCCC(=O)NCC(=O)NCCC 11a_100000174927_100000210183 [2,0,0,0,0,0|2,0,0]=4 453 B13R0.176 CCCCC(=O)NCC(=O)NCCC 1626a_100000174927_100000210183 [2,0,0,0,0,0|2,0,0]=4 454 B13R0.176 CCCCC(=O)NCC(=O)NCCC 240690a_100000174927_100000210183 [2,0,0,0,0,0|2,0,0]=4 455 B13R0.176 CCCCC(=O)NCC(=O)NCCC 527a_100000174927_100000210183 [2,0,0,0,0,0|2,0,0]=4 456 B13R0.176 CCCCC(=O)NNC(=O)CCCC 22a_100000189769_100000210183 [2,0,0,0,0,0|2,0,0]=4 457 B13R0.176 CCCNC(=O)CCC(=O)CCCF 1458a_100000199543_100011934791 [2,0,0,0,0,0|2,0,0]=4 458 B13R0.176 CCCNC(=O)CCC(=O)CCCO 1458a_100000199543_100011215043 [2,0,0,0,0,0|2,0,0]=4 459 B13R0.176 CCCNC(=O)CCC(=O)CCOC 1458a_100000199543_100000233755 [2,0,0,0,0,0|2,0,0]=4 460 B13R0.176 CCCNC(=O)CCC(=O)CCSC 1458a_100000199543_100000751147 [2,0,0,0,0,0|2,0,0]=4 461 B13R0.176 CCCNC(=O)CCC(=O)NCCC 11a_100020643023_100000199543 [2,0,0,0,0,0|2,0,0]=4 462 B13R0.176 CCCNC(=O)CCC(=O)NCCC 1626a_100020643023_100000199543 [2,0,0,0,0,0|2,0,0]=4 463 B13R0.176 CCCNC(=O)CCC(=O)NCCC 240690a_100020643023_100000199543 [2,0,0,0,0,0|2,0,0]=4 464 B13R0.176 CCCNC(=O)CCC(=O)NCCC 527a_100020643023_100000199543 [2,0,0,0,0,0|2,0,0]=4 465 B13R0.176 CCCOC(=O)OCC(=O)CCOC 1458a_100000749529_200000139673 [2,0,0,0,0,0|2,0,0]=4 466 B13R0.176 CCCOC(=O)OCC(=O)CCSC 1458a_100000174002_200000139673 [2,0,0,0,0,0|2,0,0]=4 467 B13R0.176 CCCOC(=O)OCC(=O)COCC 1458a_100000211967_200000139673 [2,0,0,0,0,0|2,0,0]=4 468 B13R0.176 CCCOC(=O)OCC(=O)CSCC 1458a_100000230394_200000139673 [2,0,0,0,0,0|2,0,0]=4 469 B13R0.193 CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210303 [2,0,0,0,0,0|1,0,1]=4 470 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [2,0,0,0,0,0|2,0,0]=4 471 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [2,0,0,0,0,0|1,0,0]=3 472 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [2,0,0,0,0,0|2,0,0]=4 473 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [2,0,0,0,0,0|2,0,0]=4 474 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [2,0,0,0,0,0|2,0,0]=4 475 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [2,0,0,0,0,0|2,0,0]=4 476 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [2,0,0,0,0,0|2,0,0]=4 477 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [2,0,0,0,0,0|2,0,0]=4 478 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [2,0,0,0,0,0|1,0,0]=3 479 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [2,0,0,0,0,0|1,0,0]=3 480 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [2,0,0,0,0,0|1,0,0]=3 481 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [2,0,0,0,0,0|2,0,0]=4 482 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [2,0,0,0,0,0|2,0,0]=4 483 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [2,0,0,0,0,0|2,0,0]=4 484 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [2,0,0,0,0,0|2,0,0]=4 485 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [2,0,0,0,0,0|1,0,1]=4 486 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [2,0,0,0,0,0|1,0,1]=4 487 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [2,0,0,0,0,0|2,0,0]=4 488 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [2,0,0,0,0,0|2,0,0]=4 489 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [2,0,0,0,0,0|2,0,0]=4 490 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [2,0,0,0,0,0|2,0,0]=4 491 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [2,0,0,0,0,0|2,0,0]=4 492 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [2,0,0,0,0,0|2,0,0]=4 493 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [2,0,0,0,0,0|2,0,0]=4 494 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [2,0,0,0,0,0|2,0,0]=4 495 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [2,0,0,0,0,0|2,0,0]=4 496 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [2,0,0,0,0,0|2,0,0]=4 497 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [2,0,0,0,0,0|2,0,0]=4 498 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [2,0,0,0,0,0|2,0,0]=4 499 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [2,0,0,0,0,0|2,0,0]=4 500 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [2,0,0,0,0,0|2,0,0]=4 501 B15R0.149 CCCCC/C=C/CC(=O)COCCCC 1458a_100020675968_100011995733 [1,1,0,0,0,0|1,0,1]=4 502 B15R0.149 CCCCCCCCC(=O)COCCCC 1458a_100000210188_100011995733 [1,1,0,0,0,0|1,0,1]=4 503 B15R0.149 CCCCCCCCC(=O)COCCCC 1458a_100000757543_100000210759 [1,1,0,0,0,0|1,0,1]=4 504 B15R0.149 CCCCOCC(=O)CCCOCCOC 1458a_100000757543_100011216529 [1,1,0,0,0,0|1,0,1]=4 505 B15R0.149 CCCCOCSCC(=O)OCCOCC 62a_100011995733_200000101388 [1,1,0,0,0,0|1,0,1]=4 506 B15R0.149 CCCCOCSCC(=O)OCCOCC 62a_200000101388_100011995733 [1,1,0,0,0,0|1,0,1]=4 507 B15R0.196 CCCCC=CC(=O)CC(=O)OCCCC 1458a_100016266645_100000211628 [1,1,0,0,0,0|1,0,1]=4 508 B15R0.196 CCCCOCC(=O)CC(=O)OCCCC 1458a_100000757543_100000211628 [1,1,0,0,0,0|0,0,2]=4 509 B15R0.322 CCCC/C=C/COCC(=O)CCCCC 34a_200016272032_200012276598 [1,1,0,0,0,0|2,0,0]=4 510 B15R0.322 CCCC/C=C/COCC(=O)CCCCC 7a_200016272032_200012276598 [1,1,0,0,0,0|2,0,0]=4 511 B15R0.322 CCCC/C=C/COCC(=O)NCCCC 34a_200016272032_100000182744 [1,1,0,0,0,0|2,0,0]=4 512 B15R0.322 CCCC/C=C/COCC(=O)NCCCC 7a_200016272032_100000182744 [1,1,0,0,0,0|2,0,0]=4 513 B15R0.322 CCCC/C=C/COCC(=O)OCCCC 34a_200016272032_100000211628 [1,1,0,0,0,0|1,0,0]=3 514 B15R0.322 CCCC/C=C/COCC(=O)OCCCC 7a_200016272032_100000211628 [1,1,0,0,0,0|1,0,0]=3 515 B15R0.322 CCCC/C=C/COCC(=O)OCCOC 34a_200016272032_200000040189 [1,1,0,0,0,0|2,0,0]=4 516 B15R0.322 CCCC/C=C/COCC(=O)OCCOC 7a_200016272032_200000040189 [1,1,0,0,0,0|2,0,0]=4 517 B15R0.322 CCCCC#CCOCC(=O)OCCCC 34a_200000034558_100000211628 [1,1,0,0,0,0|1,0,1]=4 518 B15R0.322 CCCCC#CCOCC(=O)OCCCC 7a_200000034558_100000211628 [1,1,0,0,0,0|1,0,1]=4 519 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 11a_100000102301_200015255902 [1,1,0,0,0,0|2,0,0]=4 520 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 1626a_100000102301_200015255902 [1,1,0,0,0,0|2,0,0]=4 521 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 240690a_100000102301_200015255902 [1,1,0,0,0,0|2,0,0]=4 522 B15R0.322 CCCCC/C=C/CCC(=O)NCCCC 527a_100000102301_200015255902 [1,1,0,0,0,0|2,0,0]=4 523 B15R0.322 CCCCCC(=O)COCCOCCCC 1458a_100011216887_100000210326 [1,1,0,0,0,0|1,0,1]=4 524 B15R0.322 CCCCCC(=O)COCCOCCCC 34a_100000210238_200012276598 [1,1,0,0,0,0|1,0,1]=4 525 B15R0.322 CCCCCC(=O)COCCOCCCC 7a_100000210238_200012276598 [1,1,0,0,0,0|1,0,1]=4 526 B15R0.322 CCCCCC(=O)CSCCOCCCC 62a_100000743108_200012276598 [1,1,0,0,0,0|1,0,1]=4 527 B15R0.322 CCCCCC(=O)CSCCOCCCC 62a_200012276598_100000743108 [1,1,0,0,0,0|1,0,1]=4 528 B15R0.322 CCCCCC(=O)NCCCOCCCC 1626a_200000211371_100000212188 [1,1,0,0,0,0|1,0,1]=4 529 B15R0.322 CCCCCC(=O)NCCCOCCCC 240690a_200000211371_100000212188 [1,1,0,0,0,0|1,0,1]=4 530 B15R0.322 CCCCCC(=O)NCCCOCCCC 527a_200000211371_100000212188 [1,1,0,0,0,0|1,0,1]=4 531 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [1,1,0,0,0,0|1,0,1]=4 532 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [1,1,0,0,0,0|1,0,1]=4 533 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [1,1,0,0,0,0|1,0,1]=4 534 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [1,1,0,0,0,0|1,0,1]=4 535 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [1,1,0,0,0,0|1,0,1]=4 536 B15R0.322 CCCCNC(=O)COCCOCCCC 11a_100000102301_100011216887 [1,1,0,0,0,0|1,0,1]=4 537 B15R0.322 CCCCNC(=O)COCCOCCCC 1626a_100000102301_100011216887 [1,1,0,0,0,0|1,0,1]=4 538 B15R0.322 CCCCNC(=O)COCCOCCCC 240690a_100000102301_100011216887 [1,1,0,0,0,0|1,0,1]=4 539 B15R0.322 CCCCNC(=O)COCCOCCCC 34a_100000210238_100000182744 [1,1,0,0,0,0|1,0,1]=4 540 B15R0.322 CCCCNC(=O)COCCOCCCC 527a_100000102301_100011216887 [1,1,0,0,0,0|1,0,1]=4 541 B15R0.322 CCCCNC(=O)COCCOCCCC 7a_100000210238_100000182744 [1,1,0,0,0,0|1,0,1]=4 542 B15R0.322 CCCCNC(=O)CSCCOCCCC 62a_100000182744_100000743108 [1,1,0,0,0,0|1,0,1]=4 543 B15R0.322 CCCCNC(=O)CSCCOCCCC 62a_100000743108_100000182744 [1,1,0,0,0,0|1,0,1]=4 544 B15R0.322 CCCCNC(=O)NCCCOCCCC 2708a_100000102301_200000211371 [1,1,0,0,0,0|1,0,1]=4 545 B15R0.322 CCCCNC(=O)NCCCOCCCC 2708a_200000211371_100000102301 [1,1,0,0,0,0|1,0,1]=4 546 B15R0.322 CCCCNC(=O)NCCCOCCCC 273464a_100000102301_200000211371 [1,1,0,0,0,0|1,0,1]=4 547 B15R0.322 CCCCNC(=O)NCCCOCCCC 273464a_200000211371_100000102301 [1,1,0,0,0,0|1,0,1]=4 548 B15R0.322 CCCCNC(=O)NCCCOCCCC 512a_100000102301_200000211371 [1,1,0,0,0,0|1,0,1]=4 549 B15R0.322 CCCCNC(=O)NCCCOCCCC 512a_200000211371_100000102301 [1,1,0,0,0,0|1,0,1]=4 550 B15R0.322 CCCCOC(=O)CNCCOCCOC 2230a_100000745349_100000211628 [1,1,0,0,0,0|1,0,1]=4 551 B15R0.322 CCCCOC(=O)CNCCOCCOC 34a_100000745349_100000211628 [1,1,0,0,0,0|1,0,1]=4 552 B15R0.322 CCCCOC(=O)CNCCSCCCC 2230a_100025743550_100000211628 [1,1,0,0,0,0|0,1,1]=4 553 B15R0.322 CCCCOC(=O)COCCOCCNC 34a_100000228057_100000211628 [1,1,0,0,0,0|1,0,1]=4 554 B15R0.322 CCCCOC(=O)COCCOCCOC 34a_100011215163_100000211628 [1,1,0,0,0,0|1,0,1]=4 555 B15R0.322 CCCCOC(=O)COCCOCCOC 7a_100011215163_100000211628 [1,1,0,0,0,0|1,0,1]=4 556 B15R0.322 CCCCOC(=O)COCCSCCCC 34a_200000230436_100000211628 [1,1,0,0,0,0|0,1,1]=4 557 B15R0.322 CCCCOC(=O)COCCSCCCC 7a_200000230436_100000211628 [1,1,0,0,0,0|0,1,1]=4 558 B15R0.322 CCCCOC(=O)CSCCOCCOC 62a_100000211628_100000695917 [1,1,0,0,0,0|1,0,1]=4 559 B15R0.322 CCCCOC(=O)CSCCOCCOC 62a_100000695917_100000211628 [1,1,0,0,0,0|1,0,1]=4 560 B15R0.322 CCCCOCCOCC(=O)OCCCC 34a_100000210238_100000211628 [1,1,0,0,0,0|0,0,1]=3 561 B15R0.322 CCCCOCCOCC(=O)OCCCC 7a_100000210238_100000211628 [1,1,0,0,0,0|0,0,1]=3 562 B15R0.322 CCCCOCCOCC(=O)OCCOC 34a_100000210238_200000040189 [1,1,0,0,0,0|1,0,1]=4 563 B15R0.322 CCCCOCCOCC(=O)OCCOC 7a_100000210238_200000040189 [1,1,0,0,0,0|1,0,1]=4 564 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000211628_100000743108 [1,1,0,0,0,0|0,0,1]=3 565 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000743108_100000211628 [1,1,0,0,0,0|0,0,1]=3 566 B15R0.322 CCCCOCCSCC(=O)OCCOC 62a_100000743108_200000040189 [1,1,0,0,0,0|1,0,1]=4 567 B15R0.322 CCCCOCCSCC(=O)OCCOC 62a_200000040189_100000743108 [1,1,0,0,0,0|1,0,1]=4 568 B15R0.1556 CCCCOCOC(C)C(=O)OCCCC 34a_100000038973_100011995733 [1,1,0,0,0,0|1,0,1]=4 569 B15R0.1556 CCCCOCSC(C)C(=O)OCCCC 62a_100000759602_100011995733 [1,1,0,0,0,0|1,0,1]=4 570 B15R0.1556 CCCCOCSC(C)C(=O)OCCCC 62a_100011995733_100000759602 [1,1,0,0,0,0|1,0,1]=4 571 B15R0.211 CCCNC(=O)CCC(=O)CC(C)CCC 1458a_100000199543_100011216630 [1,1,0,0,0,0|2,0,0]=4 572 B15R0.211 CCCNC(=O)CCC(=O)NC(C)CCC 11a_100000741246_100000199543 [1,1,0,0,0,0|2,0,0]=4 573 B15R0.211 CCCNC(=O)CCC(=O)NC(C)CCC 1626a_100000741246_100000199543 [1,1,0,0,0,0|2,0,0]=4 574 B15R0.211 CCCNC(=O)CCC(=O)NC(C)CCC 240690a_100000741246_100000199543 [1,1,0,0,0,0|2,0,0]=4 575 B15R0.211 CCCNC(=O)CCC(=O)NC(C)CCC 527a_100000741246_100000199543 [1,1,0,0,0,0|2,0,0]=4 576 B15R0.211 CCCOC(=O)OCC(=O)CC(C)CCC 1458a_100000748435_200000139673 [1,1,0,0,0,0|2,0,0]=4 577 B15R0.242 CC(C)CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210312 [1,1,0,0,0,0|1,0,1]=4 578 B15R0.242 CC(O)CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100012276601 [1,1,0,0,0,0|1,0,1]=4 579 B15R0.242 CCCCCC(=O)CNC(=O)CCC(C)C 1458a_100000205584_100000210326 [1,1,0,0,0,0|2,0,0]=4 580 B15R0.242 CCCCNC(=O)CNC(=O)CCC(C)C 11a_100000102301_100000205584 [1,1,0,0,0,0|2,0,0]=4 581 B15R0.242 CCCCNC(=O)CNC(=O)CCC(C)C 1626a_100000102301_100000205584 [1,1,0,0,0,0|2,0,0]=4 582 B15R0.242 CCCCNC(=O)CNC(=O)CCC(C)C 240690a_100000102301_100000205584 [1,1,0,0,0,0|2,0,0]=4 583 B15R0.242 CCCCNC(=O)CNC(=O)CCC(C)C 527a_100000102301_100000205584 [1,1,0,0,0,0|2,0,0]=4 584 B15R0.2061 C#CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000753159 [1,1,0,0,0,0|0,0,2]=4 585 B15R0.2061 C/C=C/CC(=O)CCC(=O)OCCCCO 1458a_200009914559_100102629194 [1,1,0,0,0,0|0,0,2]=4 586 B15R0.2061 C=CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000754431 [1,1,0,0,0,0|0,0,2]=4 587 B15R0.2061 CC#CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000748600 [1,1,0,0,0,0|0,0,2]=4 588 B15R0.2061 CC=CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000070051 [1,1,0,0,0,0|0,0,2]=4 589 B15R0.2061 CCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210211 [1,1,0,0,0,0|0,0,0]=2 590 B15R0.2061 CCCCC=CC(=O)COC(=O)OCCC 1458a_100016266645_200000139673 [1,1,0,0,0,0|2,0,0]=4 591 B15R0.2061 CCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210757 [1,1,0,0,0,0|2,0,0]=4 592 B15R0.2061 CCCCCCC(=O)COC(=O)OCCC 1458a_100102632555_200000139673 [1,1,0,0,0,0|2,0,0]=4 593 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 11a_100000209983_100000199543 [1,1,0,0,0,0|2,0,0]=4 594 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 1626a_100000209983_100000199543 [1,1,0,0,0,0|2,0,0]=4 595 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 240690a_100000209983_100000199543 [1,1,0,0,0,0|2,0,0]=4 596 B15R0.2061 CCCCCNC(=O)CCC(=O)NCCC 527a_100000209983_100000199543 [1,1,0,0,0,0|2,0,0]=4 597 B15R0.2061 CCCCNN=C(C)CCC(=O)OCCC 4a_100025702795_100011212339 [1,1,0,0,0,0|2,0,0]=4 598 B15R0.2061 CCCCNNC(=O)CCC(=O)NCCC 22a_100025702795_100000199543 [1,1,0,0,0,0|2,0,0]=4 599 B15R0.2061 CCCCOCC(=O)CCC(=O)NCCC 1458a_100000199543_100011995733 [1,1,0,0,0,0|1,0,0]=3 600 B15R0.2061 CCCCOCC(=O)CCC(C)CCCC 1458a_100000033779_100011995733 [1,1,0,0,0,0|1,0,1]=4 601 B15R0.2061 CCCCOCC(=O)COC(=O)OCCC 1458a_100000757543_200000139673 [1,1,0,0,0,0|1,0,0]=3 602 B15R0.2061 CCCCOCC(=O)NCC(=O)NCCC 11a_100000174927_100000757543 [1,1,0,0,0,0|2,0,0]=4 603 B15R0.2061 CCCCOCC(=O)NCC(=O)NCCC 1626a_100000174927_100000757543 [1,1,0,0,0,0|2,0,0]=4 604 B15R0.2061 CCCCOCC(=O)NCC(=O)NCCC 240690a_100000174927_100000757543 [1,1,0,0,0,0|2,0,0]=4 605 B15R0.2061 CCCCOCC(=O)NCC(=O)NCCC 527a_100000174927_100000757543 [1,1,0,0,0,0|2,0,0]=4 606 B15R0.2061 CCCCOCC(=O)NNC(=O)CCCC 22a_100000189769_100000757543 [1,1,0,0,0,0|2,0,0]=4 607 B15R0.2061 CCCCSCC(=O)COC(=O)OCCC 1458a_100000191162_200000139673 [1,1,0,0,0,0|1,1,0]=4 608 B15R0.2061 CCCNC(=O)CCC(=O)CCCCCF 1458a_100000199543_100000729378 [1,1,0,0,0,0|2,0,0]=4 609 B15R0.2061 CCCNC(=O)CCC(=O)CCCCCO 1458a_100000199543_100000746330 [1,1,0,0,0,0|2,0,0]=4 610 B15R0.2061 CCCNC(=O)CCC(=O)CCCCOC 1458a_100000199543_100000755781 [1,1,0,0,0,0|2,0,0]=4 611 B15R0.2061 CCCNC(=O)CCC(=O)CCCOCC 1458a_100000199543_100012232248 [1,1,0,0,0,0|2,0,0]=4 612 B15R0.2061 CCCNC(=O)CCC(=O)CCOCCC 1458a_100000199543_100011215938 [1,1,0,0,0,0|2,0,0]=4 613 B15R0.2061 CCCNC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000199543 [1,1,0,0,0,0|2,0,0]=4 614 B15R0.2061 CCCNC(=O)CCC(=O)NCCCCO 527a_100000750430_100000199543 [1,1,0,0,0,0|2,0,0]=4 615 B15R0.2061 CCCNC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000199543 [1,1,0,0,0,0|2,0,0]=4 616 B15R0.2061 CCCNC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000199543 [1,1,0,0,0,0|2,0,0]=4 617 B15R0.2061 CCCNC(=O)CCC(=O)NCCCOC 527a_100150723488_100000199543 [1,1,0,0,0,0|2,0,0]=4 618 B15R0.2061 CCCNC(=O)CCC(=O)NCCCSC 11a_100000749238_100000199543 [1,1,0,0,0,0|2,0,0]=4 619 B15R0.2061 CCCNC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000199543 [1,1,0,0,0,0|2,0,0]=4 620 B15R0.2061 CCCNC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000199543 [1,1,0,0,0,0|2,0,0]=4 621 B15R0.2061 CCCNC(=O)CCC(=O)NCCCSC 527a_100000749238_100000199543 [1,1,0,0,0,0|2,0,0]=4 622 B15R0.2061 CCCNC(=O)CCC(=O)NCCOCC 11a_100011200944_100000199543 [1,1,0,0,0,0|2,0,0]=4 623 B15R0.2061 CCCNC(=O)CCC(=O)NCCOCC 1626a_102516460346_100000199543 [1,1,0,0,0,0|2,0,0]=4 624 B15R0.2061 CCCNC(=O)CCC(=O)NCCOCC 240690a_100011200944_100000199543 [1,1,0,0,0,0|2,0,0]=4 625 B15R0.2061 CCCNC(=O)CCC(=O)NCCOCC 527a_100011200944_100000199543 [1,1,0,0,0,0|2,0,0]=4 626 B15R0.2061 CCCNC(=O)CCC(=O)NCCSCC 11a_100000106463_100000199543 [1,1,0,0,0,0|2,0,0]=4 627 B15R0.2061 CCCNC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000199543 [1,1,0,0,0,0|2,0,0]=4 628 B15R0.2061 CCCNC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000199543 [1,1,0,0,0,0|2,0,0]=4 629 B15R0.2061 CCCNC(=O)CCC(=O)NCCSCC 527a_100000106463_100000199543 [1,1,0,0,0,0|2,0,0]=4 630 B15R0.2061 CCCNC(=O)CCC(=O)OCCCCO 1626a_100020643023_200009914559 [1,1,0,0,0,0|1,0,0]=3 631 B15R0.2061 CCCNC(=O)CCC(=O)OCCCCO 240690a_100020643023_200009914559 [1,1,0,0,0,0|1,0,0]=3 632 B15R0.2061 CCCOC(=O)OCC(=O)CCCCCO 1458a_100102619762_200000139673 [1,1,0,0,0,0|2,0,0]=4 633 B15R0.2061 CCCOC(=O)OCC(=O)COCCOC 1458a_100000211095_200000139673 [1,1,0,0,0,0|2,0,0]=4 634 B15R0.2061 COCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000233755 [1,1,0,0,0,0|1,0,0]=3 635 B15R0.2061 CSCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000751147 [1,1,0,0,0,0|1,0,0]=3 636 B15R0.2061 N#CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011215226 [1,1,0,0,0,0|1,0,1]=4 637 B15R0.2061 O=C(CCC(=O)OCCCCO)NCCF 1626a_100000724931_200009914559 [1,1,0,0,0,0|2,0,0]=4 638 B15R0.2061 O=C(CCC(=O)OCCCCO)NCCF 240690a_100000724931_200009914559 [1,1,0,0,0,0|2,0,0]=4 639 B15R0.2061 O=C(CCC(=O)OCCCCO)NCCO 240690a_100000210304_200009914559 [1,1,0,0,0,0|2,0,0]=4 640 B15R0.2061 O=C(CCCF)CCC(=O)OCCCCO 1458a_200009914559_100011934791 [1,1,0,0,0,0|1,0,0]=3 641 B15R0.2061 O=C(CCCO)CCC(=O)OCCCCO 1458a_200009914559_100011215043 [1,1,0,0,0,0|1,0,0]=3 642 B15R0.3281 CCC(C)CC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000748023 [1,1,0,0,0,0|1,0,1]=4 643 B15R0.3281 CCC(O)CC(=O)CCC(=O)OCCC#N 1458a_200009922858_100011218378 [1,1,0,0,0,0|1,0,1]=4 644 B15R0.3281 CC[C@H](C)CC(=O)CCC(=O)OCCC#N 1458a_200009922858_100009816398 [1,1,0,0,0,0|1,0,1]=4 645 B15R0.3282 CCCC(C)C(=O)CCC(=O)OCCC#N 1458a_200009922858_100000766640 [1,1,0,0,0,0|1,0,1]=4 646 B15R0.3451 CCCNC(=O)CCC(=O)CCCC(C)C 1458a_100000199543_100011214892 [1,1,0,0,0,0|2,0,0]=4 647 B15R0.3451 CCCNC(=O)CCC(=O)CCCC(C)O 1458a_100000199543_200000718107 [1,1,0,0,0,0|2,0,0]=4 648 B15R0.3451 CCCNC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000199543 [1,1,0,0,0,0|2,0,0]=4 649 B15R0.3451 CCCNC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000199543 [1,1,0,0,0,0|2,0,0]=4 650 B15R0.3451 CCCNC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000199543 [1,1,0,0,0,0|2,0,0]=4 651 B15R0.3451 CCCNC(=O)CCC(=O)NCCC(C)C 527a_100000210545_100000199543 [1,1,0,0,0,0|2,0,0]=4 652 B15R0.3451 CCCNC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100000199543 [1,1,0,0,0,0|2,0,0]=4 653 B15R0.3451 CCCNC(=O)CCC(=O)NCCC(C)O 527a_200000755665_100000199543 [1,1,0,0,0,0|2,0,0]=4 654 B15R0.3451 CCCOC(=O)OCC(=O)CCCC(C)C 1458a_100011216857_200000139673 [1,1,0,0,0,0|2,0,0]=4 655 B15R0.4916 CCCNC(=O)CCC(=O)NCC(C)CC 11a_100020588543_100000199543 [1,1,0,0,0,0|2,0,0]=4 656 B15R0.4916 CCCNC(=O)CCC(=O)NCC(C)CC 1626a_100020588543_100000199543 [1,1,0,0,0,0|2,0,0]=4 657 B15R0.4916 CCCNC(=O)CCC(=O)NCC(C)CC 240690a_100020588543_100000199543 [1,1,0,0,0,0|2,0,0]=4 658 B15R0.4916 CCCNC(=O)CCC(=O)NCC(C)CC 527a_100020588543_100000199543 [1,1,0,0,0,0|2,0,0]=4 659 B15R0.4916 CCCNC(=O)CCC(=O)NCC(O)CC 11a_100011218483_100000199543 [1,1,0,0,0,0|2,0,0]=4 660 B15R0.4916 CCCNC(=O)CCC(=O)NCC(O)CC 240690a_100011218483_100000199543 [1,1,0,0,0,0|2,0,0]=4 661 B15R0.4916 CCCNC(=O)CCC(=O)NCC(O)CC 527a_100011218483_100000199543 [1,1,0,0,0,0|2,0,0]=4 662 B15R0.4916 CCCOC(=O)OCC(=O)CCC(C)CC 1458a_100000701222_200000139673 [1,1,0,0,0,0|2,0,0]=4 663 B15R0.4917 CCCCC(C)C(=O)CCC(=O)NCCC 1458a_100000199543_200011215066 [1,1,0,0,0,0|2,0,0]=4 664 B15R0.4917 CCCCC(C)C(=O)COC(=O)OCCC 1458a_100000725509_200000139673 [1,1,0,0,0,0|2,0,0]=4 665 B15R0.4917 CCCCC(O)C(=O)COC(=O)OCCC 1458a_100000720857_200000139673 [1,1,0,0,0,0|2,0,0]=4 666 B15R0.4917 CCCCN(C)C(=O)CCC(=O)NCCC 11a_100000207549_100000199543 [1,1,0,0,0,0|2,0,0]=4 667 B15R0.4917 CCCCN(C)C(=O)CCC(=O)NCCC 1626a_100000207549_100000199543 [1,1,0,0,0,0|2,0,0]=4 668 B15R0.4917 CCCCN(C)C(=O)CCC(=O)NCCC 240690a_100000207549_100000199543 [1,1,0,0,0,0|2,0,0]=4 669 B15R0.4917 CCCCN(C)C(=O)CCC(=O)NCCC 527a_100000207549_100000199543 [1,1,0,0,0,0|2,0,0]=4 670 B15R0.5204 C=C(CC(=O)OCCCC)C(=O)NCCC 1626a_100020643023_100000049090 [1,1,0,0,0,0|1,0,1]=4 671 B15R0.5204 C=C(CC(=O)OCCCC)C(=O)NCCC 240690a_100020643023_100000049090 [1,1,0,0,0,0|1,0,1]=4 672 B15R0.5204 CCCCNC(=O)CN(C)C(=O)CCCC 1626a_200000213093_100000210183 [1,1,0,0,0,0|2,0,0]=4 673 B15R0.5204 CCCCNC(=O)CN(C)C(=O)CCCC 240690a_200000213093_100000210183 [1,1,0,0,0,0|2,0,0]=4 674 B15R0.5204 CCCCNC(=O)CN(C)C(=O)CCCC 527a_200000213093_100000210183 [1,1,0,0,0,0|2,0,0]=4 675 B15R0.5204 CCCCOC(=O)CC(=O)C(=O)NCCC 1458a_200011297150_100000211628 [1,1,0,0,0,0|1,0,1]=4 676 B15R0.235 C=C(CCC)CC(=O)CC(=O)OCCCC 1458a_100000138376_100000211628 [0,1,0,0,1,0|1,0,1]=4 677 B15R0.235 CCCC(C)CC(=O)CC(=O)OCCOC 1458a_100000748435_200000040189 [0,1,0,0,1,0|2,0,0]=4 678 B15R0.235 CCCCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_200012276598 [0,1,0,0,1,0|2,0,0]=4 679 B15R0.235 CCCCNC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000182744 [0,1,0,0,1,0|2,0,0]=4 680 B15R0.235 CCCCOC(=O)CC(=O)C=C(C)CCC 1458a_100020676950_100000211628 [0,1,0,0,1,0|1,0,1]=4 681 B15R0.235 CCCCOC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000211628 [0,1,0,0,1,0|1,0,0]=3 682 B15R0.235 CCCCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000211628 [0,1,0,0,1,0|2,0,0]=4 683 B15R0.235 CCCCOC(=O)CC(=O)CS(=O)CCC 1458a_100011387404_100000211628 [0,1,0,0,1,0|2,0,0]=4 684 B15R0.371 CCCCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_200012276598 [0,1,0,0,1,0|2,0,0]=4 685 B15R0.371 CCCCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000182744 [0,1,0,0,1,0|2,0,0]=4 686 B15R0.371 CCCCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000211628 [0,1,0,0,1,0|1,0,0]=3 687 B15R0.371 CCCCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000211628 [0,1,0,0,1,0|2,0,0]=4 688 B15R0.371 COCCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_200000040189 [0,1,0,0,1,0|2,0,0]=4 689 B15R0.5203 CCC(C)CCC(=O)CC(=O)OCCOC 1458a_100000701222_200000040189 [0,1,0,0,1,0|2,0,0]=4 690 B15R0.5203 CCCCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_200012276598 [0,1,0,0,1,0|2,0,0]=4 691 B15R0.5203 CCCCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000182744 [0,1,0,0,1,0|2,0,0]=4 692 B15R0.5203 CCCCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000211628 [0,1,0,0,1,0|1,0,0]=3 693 B15R0.5203 CCCCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000211628 [0,1,0,0,1,0|2,0,0]=4 694 B15R0.5203 CCCCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000211628 [0,1,0,0,1,0|2,0,0]=4 695 B15R0.5215 CCCC#CC(=O)C(C)C(=O)OCCCC 1458a_200011218047_100000759602 [0,1,0,0,1,0|1,0,1]=4 696 B15R0.5215 CCCC=CC(=O)C(C)C(=O)OCCCC 1458a_100000212230_100000759602 [0,1,0,0,1,0|1,0,1]=4 697 B15R0.5215 CCCCCC(=O)C(C)C(=O)NCCCC 1458a_100000212188_100000735917 [0,1,0,0,1,0|2,0,0]=4 698 B15R0.5215 CCCCCC(=O)C(C)C(=O)OCCCC 1458a_100000212188_100000759602 [0,1,0,0,1,0|1,0,0]=3 699 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000759602 [0,1,0,0,1,0|2,0,0]=4 700 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100000759602 [0,1,0,0,1,0|2,0,0]=4 701 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000759602 [0,1,0,0,1,0|2,0,0]=4 702 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCOCC 1458a_100000749530_100000759602 [0,1,0,0,1,0|2,0,0]=4 703 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100000759602 [0,1,0,0,1,0|2,0,0]=4 704 B15R0.5215 CCCCOC(=O)C(C)C(=O)COCCC 1458a_100000745993_100000759602 [0,1,0,0,1,0|2,0,0]=4 705 B15R0.5215 CCCCOC(=O)C(C)C(=O)CSCCC 1458a_100000217233_100000759602 [0,1,0,0,1,0|2,0,0]=4 706 B17R0.11 CCCCCC(=O)CSCC(=O)NCCCOC 62a_100000183178_200012276598 [0,1,0,0,0,1|2,0,0]=4 707 B17R0.11 CCCCCC(=O)CSCC(=O)OCCOCC 62a_200000101388_200012276598 [0,1,0,0,0,1|1,0,0]=3 708 B17R0.11 CCCCCC(=O)CSCC(=O)OCCOCC 62a_200012276598_200000101388 [0,1,0,0,0,1|1,0,0]=3 709 B17R0.11 CCCCCNC(=O)CSCC(=O)CCCCC 62a_100000230301_200012276598 [0,1,0,0,0,1|2,0,0]=4 710 B17R0.11 CCCCCNC(=O)CSCC(=O)CCCCC 62a_200012276598_100000230301 [0,1,0,0,0,1|2,0,0]=4 711 B17R0.11 CCCCCNC(=O)CSCC(=O)NCCCC 62a_100000182744_100000230301 [0,1,0,0,0,1|2,0,0]=4 712 B17R0.11 CCCCCNC(=O)CSCC(=O)NCCCC 62a_100000230301_100000182744 [0,1,0,0,0,1|2,0,0]=4 713 B17R0.11 CCCCCNC(=O)CSCC(=O)OCCCC 62a_100000211628_100000230301 [0,1,0,0,0,1|1,0,0]=3 714 B17R0.11 CCCCCNC(=O)CSCC(=O)OCCCC 62a_100000230301_100000211628 [0,1,0,0,0,1|1,0,0]=3 715 B17R0.11 CCCCCNC(=O)CSCC(=O)OCCOC 62a_100000230301_200000040189 [0,1,0,0,0,1|2,0,0]=4 716 B17R0.11 CCCCCNC(=O)CSCC(=O)OCCOC 62a_200000040189_100000230301 [0,1,0,0,0,1|2,0,0]=4 717 B17R0.11 CCCCNC(=O)CSCC(=O)NCCCOC 62a_100000183178_100000182744 [0,1,0,0,0,1|2,0,0]=4 718 B17R0.11 CCCCNC(=O)CSCC(=O)OCCOCC 62a_100000182744_200000101388 [0,1,0,0,0,1|1,0,0]=3 719 B17R0.11 CCCCNC(=O)CSCC(=O)OCCOCC 62a_200000101388_100000182744 [0,1,0,0,0,1|1,0,0]=3 720 B17R0.11 CCCCOC(=O)CSCC(=O)NCCCOC 62a_100000183178_100000211628 [0,1,0,0,0,1|1,0,0]=3 721 B17R0.11 CCCCOC(=O)CSCC(=O)OCCOCC 62a_100000211628_200000101388 [0,1,0,0,0,1|0,0,0]=2 722 B17R0.11 CCCCOC(=O)CSCC(=O)OCCOCC 62a_200000101388_100000211628 [0,1,0,0,0,1|0,0,0]=2 723 B17R0.11 CCOCCOC(=O)CNCC(=O)NCCOC 2230a_100000754632_200000101388 [0,1,0,0,0,1|2,0,0]=4 724 B17R0.11 CCOCCOC(=O)CSCC(=O)NCCOC 62a_100000183275_200000101388 [0,1,0,0,0,1|2,0,0]=4 725 B17R0.11 CCOCCOC(=O)CSCC(=O)NCCOC 62a_200000101388_100000183275 [0,1,0,0,0,1|2,0,0]=4 726 B17R0.11 CCOCCOC(=O)CSCC(=O)OCCOC 62a_200000040189_200000101388 [0,1,0,0,0,1|1,0,0]=3 727 B17R0.11 CCOCCOC(=O)CSCC(=O)OCCOC 62a_200000101388_200000040189 [0,1,0,0,0,1|1,0,0]=3 728 B17R0.11 COCCCNC(=O)CSCC(=O)OCCOC 62a_100000183178_200000040189 [0,1,0,0,0,1|2,0,0]=4 729 B17R0.667 CCCCCC(=O)COC(C)C(=O)OCCCC 34a_100000038973_200012276598 [0,1,0,0,0,1|1,0,0]=3 730 B17R0.667 CCCCCC(=O)COC(C)C(=O)OCCCC 7a_100000038973_200012276598 [0,1,0,0,0,1|1,0,0]=3 731 B17R0.667 CCCCCC(=O)CSC(C)C(=O)NCCCC 62a_100000735917_200012276598 [0,1,0,0,0,1|2,0,0]=4 732 B17R0.667 CCCCCC(=O)CSC(C)C(=O)NCCCC 62a_200012276598_100000735917 [0,1,0,0,0,1|2,0,0]=4 733 B17R0.667 CCCCCC(=O)CSC(C)C(=O)OCCCC 62a_100000759602_200012276598 [0,1,0,0,0,1|1,0,0]=3 734 B17R0.667 CCCCCC(=O)CSC(C)C(=O)OCCCC 62a_200012276598_100000759602 [0,1,0,0,0,1|1,0,0]=3 735 B17R0.667 CCCCNC(=O)C(C)SCC(=O)OCCCC 62a_100000211628_100000735917 [0,1,0,0,0,1|1,0,0]=3 736 B17R0.667 CCCCNC(=O)C(C)SCC(=O)OCCCC 62a_100000735917_100000211628 [0,1,0,0,0,1|1,0,0]=3 737 B17R0.667 CCCCNC(=O)C(C)SCC(=O)OCCOC 62a_100000735917_200000040189 [0,1,0,0,0,1|2,0,0]=4 738 B17R0.667 CCCCNC(=O)C(C)SCC(=O)OCCOC 62a_200000040189_100000735917 [0,1,0,0,0,1|2,0,0]=4 739 B17R0.667 CCCCNC(=O)COC(C)C(=O)OCCCC 34a_100000038973_100000182744 [0,1,0,0,0,1|1,0,0]=3 740 B17R0.667 CCCCNC(=O)COC(C)C(=O)OCCCC 7a_100000038973_100000182744 [0,1,0,0,0,1|1,0,0]=3 741 B17R0.667 CCCCNC(=O)CSC(C)C(=O)NCCCC 62a_100000182744_100000735917 [0,1,0,0,0,1|2,0,0]=4 742 B17R0.667 CCCCNC(=O)CSC(C)C(=O)NCCCC 62a_100000735917_100000182744 [0,1,0,0,0,1|2,0,0]=4 743 B17R0.667 CCCCNC(=O)CSC(C)C(=O)OCCCC 62a_100000182744_100000759602 [0,1,0,0,0,1|1,0,0]=3 744 B17R0.667 CCCCNC(=O)CSC(C)C(=O)OCCCC 62a_100000759602_100000182744 [0,1,0,0,0,1|1,0,0]=3 745 B17R0.667 CCCCOC(=O)C(C)NCC(=O)NCCOC 2230a_100000754632_100000759602 [0,1,0,0,0,1|2,0,0]=4 746 B17R0.667 CCCCOC(=O)C(C)OCC(=O)NCCOC 34a_100000038973_100000183275 [0,1,0,0,0,1|2,0,0]=4 747 B17R0.667 CCCCOC(=O)C(C)OCC(=O)NCCOC 7a_100000038973_100000183275 [0,1,0,0,0,1|2,0,0]=4 748 B17R0.667 CCCCOC(=O)C(C)OCC(=O)OCCOC 34a_100000038973_200000040189 [0,1,0,0,0,1|1,0,0]=3 749 B17R0.667 CCCCOC(=O)C(C)OCC(=O)OCCOC 7a_100000038973_200000040189 [0,1,0,0,0,1|1,0,0]=3 750 B17R0.667 CCCCOC(=O)C(C)SCC(=O)NCCOC 62a_100000183275_100000759602 [0,1,0,0,0,1|2,0,0]=4 751 B17R0.667 CCCCOC(=O)C(C)SCC(=O)NCCOC 62a_100000759602_100000183275 [0,1,0,0,0,1|2,0,0]=4 752 B17R0.667 CCCCOC(=O)C(C)SCC(=O)OCCOC 62a_100000759602_200000040189 [0,1,0,0,0,1|1,0,0]=3 753 B17R0.667 CCCCOC(=O)C(C)SCC(=O)OCCOC 62a_200000040189_100000759602 [0,1,0,0,0,1|1,0,0]=3 754 B17R0.667 CCCCOC(=O)COC(C)C(=O)OCCCC 34a_100000038973_100000211628 [0,1,0,0,0,1|0,0,0]=2 755 B17R0.667 CCCCOC(=O)COC(C)C(=O)OCCCC 7a_100000038973_100000211628 [0,1,0,0,0,1|0,0,0]=2 756 B17R0.667 CCCCOC(=O)CSC(C)C(=O)NCCOC 62a_100000211628_100000230274 [0,1,0,0,0,1|2,0,0]=4 757 B17R0.667 CCCCOC(=O)CSC(C)C(=O)NCCOC 62a_100000230274_100000211628 [0,1,0,0,0,1|2,0,0]=4 758 B17R0.667 CCCCOC(=O)CSC(C)C(=O)OCCCC 62a_100000211628_100000759602 [0,1,0,0,0,1|0,0,0]=2 759 B17R0.667 CCCCOC(=O)CSC(C)C(=O)OCCCC 62a_100000759602_100000211628 [0,1,0,0,0,1|0,0,0]=2 760 B17R0.9479 CCCCCC(=O)CSCC(=O)N(C)CCCC 62a_100000230175_200012276598 [0,1,0,0,0,1|2,0,0]=4 761 B17R0.9479 CCCCCC(=O)CSCC(=O)N(C)CCCC 62a_200012276598_100000230175 [0,1,0,0,0,1|2,0,0]=4 762 B17R0.9479 CCCCN(C)C(=O)CSCC(=O)OCCOC 62a_100000230175_200000040189 [0,1,0,0,0,1|2,0,0]=4 763 B17R0.9479 CCCCN(C)C(=O)CSCC(=O)OCCOC 62a_200000040189_100000230175 [0,1,0,0,0,1|2,0,0]=4 764 B17R0.9479 CCCCNC(=O)CSCC(=O)N(C)CCCC 62a_100000182744_100000230175 [0,1,0,0,0,1|2,0,0]=4 765 B17R0.9479 CCCCNC(=O)CSCC(=O)N(C)CCCC 62a_100000230175_100000182744 [0,1,0,0,0,1|2,0,0]=4 766 B17R0.9479 CCCCOC(=O)CSCC(=O)N(C)CCCC 62a_100000211628_100000230175 [0,1,0,0,0,1|1,0,0]=3 767 B17R0.9479 CCCCOC(=O)CSCC(=O)N(C)CCCC 62a_100000230175_100000211628 [0,1,0,0,0,1|1,0,0]=3 768 B17R0.13518 CCCCOC(=O)CSCC(=O)NCC(O)CO 62a_100000211628_200012027429 [0,1,0,0,0,1|2,0,0]=4 769 B17R0.13518 CCCCOC(=O)CSCC(=O)NCC(O)CO 62a_200012027429_100000211628 [0,1,0,0,0,1|2,0,0]=4 770 B17R0.14251 CCCCCC(=O)CN(C)CC(=O)NCCCC 2230a_200000213093_200012276598 [0,1,0,0,0,1|2,0,0]=4 771 B17R0.14251 CCCCCC(=O)CN(C)CC(=O)NCCCC 269982a_200000213093_200012276598 [0,1,0,0,0,1|2,0,0]=4 772 B17R0.14251 CCCCNC(=O)CN(C)CC(=O)NCCCC 2230a_200000213093_100000182744 [0,1,0,0,0,1|2,0,0]=4 773 B17R0.14251 CCCCNC(=O)CN(C)CC(=O)NCCCC 269982a_200000213093_100000182744 [0,1,0,0,0,1|2,0,0]=4 774 B17R0.14251 CCCCNC(=O)CN(C)CC(=O)OCCCC 2230a_200000213093_100000211628 [0,1,0,0,0,1|1,0,0]=3 775 B17R0.14251 CCCCNC(=O)CN(C)CC(=O)OCCCC 269982a_200000213093_100000211628 [0,1,0,0,0,1|1,0,0]=3 776 B17R0.14251 CCCCNC(=O)CN(C)CC(=O)OCCOC 2230a_200000213093_200000040189 [0,1,0,0,0,1|2,0,0]=4 777 B17R0.14251 CCCCNC(=O)CN(C)CC(=O)OCCOC 269982a_200000213093_200000040189 [0,1,0,0,0,1|2,0,0]=4 778 B17R0.14251 CCCCOC(=O)CN(C)CC(=O)NCCOC 2230a_100020672463_100000211628 [0,1,0,0,0,1|2,0,0]=4 779 B17R0.14251 CCCCOC(=O)CN(C)CC(=O)NCCOC 269982a_100020672463_100000211628 [0,1,0,0,0,1|2,0,0]=4 780 B17R0.945 CC(CO)CNC(=O)CCC(=O)OCCCCO 240690a_100000744482_200009914559 [0,2,0,0,0,0|2,0,0]=4 781 B17R0.945 CCC(C)CNC(=O)CCC(=O)OCCCCO 1626a_100020588543_200009914559 [0,2,0,0,0,0|1,0,0]=3 782 B17R0.945 CCC(C)CNC(=O)CCC(=O)OCCCCO 240690a_100020588543_200009914559 [0,2,0,0,0,0|1,0,0]=3 783 B17R0.945 CCC(O)CNC(=O)CCC(=O)OCCCCO 240690a_100011218483_200009914559 [0,2,0,0,0,0|1,0,0]=3 784 B17R0.945 CO[C@H](C)CNC(=O)CCC(=O)OCCCCO 1626a_100020591295_200009914559 [0,2,0,0,0,0|2,0,0]=4 785 B17R0.945 CO[C@H](C)CNC(=O)CCC(=O)OCCCCO 240690a_100020591295_200009914559 [0,2,0,0,0,0|2,0,0]=4 786 B17R0.945 O=C(CCC(=O)OCCCCO)NC[C@@H](F)CO 240690a_100015665980_200009914559 [0,2,0,0,0,0|2,0,0]=4 787 B17R0.945 O=C(CCC(=O)OCCCCO)NC[C@H](O)CO 240690a_100020644852_200009914559 [0,2,0,0,0,0|2,0,0]=4 788 B17R0.950 C#CCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100010269958 [0,2,0,0,0,0|1,0,1]=4 789 B17R0.950 C#CCCCNC(=O)CCC(=O)OCCCCO 1626a_100000718082_200009914559 [0,2,0,0,0,0|1,0,1]=4 790 B17R0.950 C#CCCCNC(=O)CCC(=O)OCCCCO 240690a_100000718082_200009914559 [0,2,0,0,0,0|1,0,1]=4 791 B17R0.950 C=CCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011215482 [0,2,0,0,0,0|1,0,1]=4 792 B17R0.950 C=CCCCNC(=O)CCC(=O)OCCCCO 1626a_100000700776_200009914559 [0,2,0,0,0,0|1,0,1]=4 793 B17R0.950 C=CCCCNC(=O)CCC(=O)OCCCCO 240690a_100000700776_200009914559 [0,2,0,0,0,0|1,0,1]=4 794 B17R0.950 CC/C=C\CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100015370543 [0,2,0,0,0,0|1,0,1]=4 795 B17R0.950 CCCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210757 [0,2,0,0,0,0|1,0,0]=3 796 B17R0.950 CCCCCNC(=O)CCC(=O)OCCCCO 1626a_100000209983_200009914559 [0,2,0,0,0,0|1,0,0]=3 797 B17R0.950 CCCCCNC(=O)CCC(=O)OCCCCO 240690a_100000209983_200009914559 [0,2,0,0,0,0|1,0,0]=3 798 B17R0.950 CCCCOCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011995733 [0,2,0,0,0,0|0,0,0]=2 799 B17R0.950 CCCOCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011215938 [0,2,0,0,0,0|1,0,0]=3 800 B17R0.950 CCOCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100012232248 [0,2,0,0,0,0|1,0,0]=3 801 B17R0.950 CCOCCNC(=O)CCC(=O)OCCCCO 1626a_102516460346_200009914559 [0,2,0,0,0,0|1,0,0]=3 802 B17R0.950 CCOCCNC(=O)CCC(=O)OCCCCO 240690a_100011200944_200009914559 [0,2,0,0,0,0|1,0,0]=3 803 B17R0.950 CCSCCNC(=O)CCC(=O)OCCCCO 1626a_100000106463_200009914559 [0,2,0,0,0,0|1,0,0]=3 804 B17R0.950 CCSCCNC(=O)CCC(=O)OCCCCO 240690a_100000106463_200009914559 [0,2,0,0,0,0|1,0,0]=3 805 B17R0.950 COCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000755781 [0,2,0,0,0,0|1,0,0]=3 806 B17R0.950 COCCCNC(=O)CCC(=O)OCCCCO 1626a_100150723488_200009914559 [0,2,0,0,0,0|1,0,0]=3 807 B17R0.950 COCCCNC(=O)CCC(=O)OCCCCO 240690a_100150723488_200009914559 [0,2,0,0,0,0|1,0,0]=3 808 B17R0.950 CSCCCNC(=O)CCC(=O)OCCCCO 1626a_100000749238_200009914559 [0,2,0,0,0,0|1,0,0]=3 809 B17R0.950 CSCCCNC(=O)CCC(=O)OCCCCO 240690a_100000749238_200009914559 [0,2,0,0,0,0|1,0,0]=3 810 B17R0.950 N#CCCCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000211819 [0,2,0,0,0,0|1,0,1]=4 811 B17R0.950 O=C(CCC(=O)OCCCCO)NCCCCO 240690a_100000750430_200009914559 [0,2,0,0,0,0|1,0,0]=3 812 B17R0.950 O=C(CCCCCF)CCC(=O)OCCCCO 1458a_200009914559_100000729378 [0,2,0,0,0,0|1,0,0]=3 813 B17R0.950 O=C(CCCCCO)CCC(=O)OCCCCO 1458a_200009914559_100000746330 [0,2,0,0,0,0|1,0,0]=3 814 B17R0.950 O=C(CCOCCO)CCC(=O)OCCCCO 1458a_200009914559_100011215305 [0,2,0,0,0,0|2,0,0]=4 815 B17R0.6195 CCCCCNN=C(C)CCC(=O)OCCCC 4a_100000694160_200011212340 [0,2,0,0,0,0|2,0,0]=4 816 B17R0.6195 CCCCOC(=O)CCC(=NNCCOCC)C 4a_100000732670_200011212340 [0,2,0,0,0,0|2,0,0]=4 817 B17R0.6195 CCCCOCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000743108 [0,2,0,0,0,0|1,0,1]=4 818 B17R0.9065 CCCCC(C)C(=O)CCC(=O)OCCCCO 1458a_200009914559_200011215066 [0,2,0,0,0,0|1,0,0]=3 819 B17R0.9065 CCCCN(C)C(=O)CCC(=O)OCCCCO 1626a_100000207549_200009914559 [0,2,0,0,0,0|1,0,0]=3 820 B17R0.9065 CCCCN(C)C(=O)CCC(=O)OCCCCO 240690a_100000207549_200009914559 [0,2,0,0,0,0|1,0,0]=3 821 B17R0.9065 CN(CCCO)C(=O)CCC(=O)OCCCCO 240690a_100000213112_200009914559 [0,2,0,0,0,0|2,0,0]=4 822 B17R0.9065 COCCN(C)C(=O)CCC(=O)OCCCCO 1626a_100000743101_200009914559 [0,2,0,0,0,0|2,0,0]=4 823 B17R0.9065 COCCN(C)C(=O)CCC(=O)OCCCCO 240690a_100000743101_200009914559 [0,2,0,0,0,0|2,0,0]=4 824 B17R0.9065 CSCCN(C)C(=O)CCC(=O)OCCCCO 1626a_100000686725_200009914559 [0,2,0,0,0,0|2,0,0]=4 825 B17R0.9065 CSCCN(C)C(=O)CCC(=O)OCCCCO 240690a_100000686725_200009914559 [0,2,0,0,0,0|2,0,0]=4 826 B17R0.9657 CCCCOC(=O)CCC(=NNCC(O)CC)C 4a_100015206393_200011212340 [0,2,0,0,0,0|2,0,0]=4 827 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCCC 1626a_100000209983_100000049090 [0,2,0,0,0,0|1,0,1]=4 828 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCCC 240690a_100000209983_100000049090 [0,2,0,0,0,0|1,0,1]=4 829 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCCO 240690a_100000750430_100000049090 [0,2,0,0,0,0|1,0,1]=4 830 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCOC 1626a_100150723488_100000049090 [0,2,0,0,0,0|1,0,1]=4 831 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCOC 240690a_100150723488_100000049090 [0,2,0,0,0,0|1,0,1]=4 832 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCSC 1626a_100000749238_100000049090 [0,2,0,0,0,0|1,0,1]=4 833 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCCSC 240690a_100000749238_100000049090 [0,2,0,0,0,0|1,0,1]=4 834 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCOCC 1626a_102516460346_100000049090 [0,2,0,0,0,0|1,0,1]=4 835 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCOCC 240690a_100011200944_100000049090 [0,2,0,0,0,0|1,0,1]=4 836 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCSCC 1626a_100000106463_100000049090 [0,2,0,0,0,0|1,0,1]=4 837 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NCCSCC 240690a_100000106463_100000049090 [0,2,0,0,0,0|1,0,1]=4 838 B17R0.12335 C=C(CC(=O)OCCCC)C(=O)NNCCCC 22a_100025702795_100000049090 [0,2,0,0,0,0|1,0,1]=4 839 B17R0.12335 CCCCNC(=O)CN(C)C(=O)COCCCC 1626a_200000213093_100000757543 [0,2,0,0,0,0|2,0,0]=4 840 B17R0.12335 CCCCNC(=O)CN(C)C(=O)COCCCC 240690a_200000213093_100000757543 [0,2,0,0,0,0|2,0,0]=4 841 B17R0.12335 CCCCNC(=O)CN(C)C(=O)COCCCC 527a_200000213093_100000757543 [0,2,0,0,0,0|2,0,0]=4 842 B17R0.14134 CC(=O)CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011215641 [0,2,0,0,0,0|1,0,1]=4 843 B17R0.14134 CC(C)CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011214892 [0,2,0,0,0,0|1,0,0]=3 844 B17R0.14134 CC(C)CCNC(=O)CCC(=O)OCCCCO 1626a_100000210545_200009914559 [0,2,0,0,0,0|1,0,0]=3 845 B17R0.14134 CC(C)CCNC(=O)CCC(=O)OCCCCO 240690a_100000210545_200009914559 [0,2,0,0,0,0|1,0,0]=3 846 B17R0.14134 CC(C)OCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000211751 [0,2,0,0,0,0|2,0,0]=4 847 B17R0.14134 CC(C)SCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000730970 [0,2,0,0,0,0|2,0,0]=4 848 B17R0.14134 CC(O)CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000718107 [0,2,0,0,0,0|1,0,0]=3 849 B17R0.14134 CC(O)CCNC(=O)CCC(=O)OCCCCO 240690a_200000755665_200009914559 [0,2,0,0,0,0|1,0,0]=3 850 B17R0.14134 CN(C)CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000695564 [0,2,0,0,0,0|2,0,0]=4 851 B17R0.14134 CN(C)CCNC(=O)CCC(=O)OCCCCO 240690a_100000210585_200009914559 [0,2,0,0,0,0|2,0,0]=4 852 B17R0.14349 CCCC(=O)CC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000747444 [0,2,0,0,0,0|1,0,1]=4 853 B17R0.14349 CCCC(C)CC(=O)CCC(=O)OCCCCO 1458a_200009914559_100011216630 [0,2,0,0,0,0|1,0,0]=3 854 B17R0.14349 CCCC(C)NC(=O)CCC(=O)OCCCCO 1626a_100000741246_200009914559 [0,2,0,0,0,0|1,0,0]=3 855 B17R0.14349 CCCC(C)NC(=O)CCC(=O)OCCCCO 240690a_100000741246_200009914559 [0,2,0,0,0,0|1,0,0]=3 856 B17R0.14349 COC[C@@H](C)NC(=O)CCC(=O)OCCCCO 1626a_100000764878_200009914559 [0,2,0,0,0,0|2,0,0]=4 857 B17R0.14349 COC[C@@H](C)NC(=O)CCC(=O)OCCCCO 240690a_100000764878_200009914559 [0,2,0,0,0,0|2,0,0]=4 858 B17R0.14349 C[C@H](CCO)NC(=O)CCC(=O)OCCCCO 240690a_100000706166_200009914559 [0,2,0,0,0,0|2,0,0]=4 859 B17R0.3203 C=C(CC(=O)OCCCC)C(=O)NCCC(C)C 1626a_100000210545_100000049090 [0,2,0,0,0,0|1,0,1]=4 860 B17R0.3203 C=C(CC(=O)OCCCC)C(=O)NCCC(C)C 240690a_100000210545_100000049090 [0,2,0,0,0,0|1,0,1]=4 861 B17R0.3203 C=C(CC(=O)OCCCC)C(=O)NCCC(C)O 240690a_200000755665_100000049090 [0,2,0,0,0,0|1,0,1]=4 862 B17R0.9667 CCCCCC(=O)CCC(=O)OCC[N+](C)(C)C 1458a_100000730269_100000210326 [0,2,0,0,0,0|2,0,0]=4 863 B17R0.9667 CCCCNC(=O)CCC(=O)OCC[N+](C)(C)C 1626a_100000102301_100000730269 [0,2,0,0,0,0|2,0,0]=4 864 B17R0.9667 CCCCNC(=O)CCC(=O)OCC[N+](C)(C)C 240690a_100000102301_100000730269 [0,2,0,0,0,0|2,0,0]=4 865 B17R0.9520 C=C(CC(=O)OCCCC)C(=O)NC(C)CCC 1626a_100000741246_100000049090 [0,2,0,0,0,0|1,0,1]=4 866 B17R0.9520 C=C(CC(=O)OCCCC)C(=O)NC(C)CCC 240690a_100000741246_100000049090 [0,2,0,0,0,0|1,0,1]=4 867 B17R0.8724 C=C(CC(=O)OCCCC)C(=O)NCC(C)CC 1626a_100020588543_100000049090 [0,2,0,0,0,0|1,0,1]=4 868 B17R0.8724 C=C(CC(=O)OCCCC)C(=O)NCC(C)CC 240690a_100020588543_100000049090 [0,2,0,0,0,0|1,0,1]=4 869 B17R0.8724 C=C(CC(=O)OCCCC)C(=O)NCC(O)CC 240690a_100011218483_100000049090 [0,2,0,0,0,0|1,0,1]=4 870 B17R0.9463 CCCCOC(=O)CC(OC)C(=O)OCCCC 7a_100000090327_200000210301 [0,2,0,0,0,0|0,0,0]=2 871 B17R0.9463 CCCCOC(=O)CC(O[13CH3])C(=O)OCCCC 7a_100000090327_200025704644 [0,2,0,0,0,0|0,0,0]=2 872 B17R0.17453 C=C(CC(=O)OCCCC)C(=O)N(C)CCCC 1626a_100000207549_100000049090 [0,2,0,0,0,0|1,0,1]=4 873 B17R0.17453 C=C(CC(=O)OCCCC)C(=O)N(C)CCCC 240690a_100000207549_100000049090 [0,2,0,0,0,0|1,0,1]=4 874 B15R1.78 CCCCCC(=O)CCN1CCCCO1 1458a_200015184090_100000210326 [1,0,0,1,0,0|2,0,0]=4 875 B15R1.78 CCCCNC(=O)CCN1CCCCO1 240690a_100000102301_200015184090 [1,0,0,1,0,0|2,0,0]=4 876 B15R1.78 CCCCOC(=O)COC1CCCCO1 34a_100000033831_100000211628 [1,0,0,1,0,0|1,0,1]=4 877 B15R1.593 CCCCC(=O)CCC(=O)N1CCCC1 1458a_100000210183_100011194422 [1,0,0,1,0,0|1,0,0]=3 878 B15R1.593 CCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210211 [1,0,0,1,0,0|1,0,0]=3 879 B15R1.593 CCCCC(=O)NCC(=O)N1CCCC1 11a_100000751844_100000210183 [1,0,0,1,0,0|2,0,0]=4 880 B15R1.593 CCCCC(=O)NCC(=O)N1CCCC1 1626a_100000751844_100000210183 [1,0,0,1,0,0|2,0,0]=4 881 B15R1.593 CCCCC(=O)NCC(=O)N1CCCC1 240690a_100000751844_100000210183 [1,0,0,1,0,0|2,0,0]=4 882 B15R1.593 CCCCC(=O)NCC(=O)N1CCCC1 527a_100000751844_100000210183 [1,0,0,1,0,0|2,0,0]=4 883 B15R1.593 CCCNC(=O)CCC(=O)C1CCCC1 1458a_100000199543_100000179811 [1,0,0,1,0,0|2,0,0]=4 884 B15R1.593 CCCNC(=O)CCC(=O)N1CCCC1 11a_100020643023_200000187315 [1,0,0,1,0,0|2,0,0]=4 885 B15R1.593 CCCNC(=O)CCC(=O)N1CCCC1 1626a_100020643023_200000187315 [1,0,0,1,0,0|2,0,0]=4 886 B15R1.593 CCCNC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000199543 [1,0,0,1,0,0|2,0,0]=4 887 B15R1.593 CCCNC(=O)CCC(=O)N1CCCC1 240690a_100020643023_200000187315 [1,0,0,1,0,0|2,0,0]=4 888 B15R1.593 CCCNC(=O)CCC(=O)N1CCCC1 527a_100000188435_100000199543 [1,0,0,1,0,0|2,0,0]=4 889 B15R1.593 CCCOC(=O)OCC(=O)C1CCCC1 1458a_100000210718_200000139673 [1,0,0,1,0,0|2,0,0]=4 890 B15R1.593 CCOCC(=O)CCC(=O)N1CCCC1 1458a_100000211967_100011194422 [1,0,0,1,0,0|2,0,0]=4 891 B15R1.593 CCSCC(=O)CCC(=O)N1CCCC1 1458a_100000230394_100011194422 [1,0,0,1,0,0|2,0,0]=4 892 B15R1.593 COCCC(=O)CCC(=O)N1CCCC1 1458a_100000749529_100011194422 [1,0,0,1,0,0|2,0,0]=4 893 B15R1.593 COCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000233755 [1,0,0,1,0,0|2,0,0]=4 894 B15R1.593 CSCCC(=O)CCC(=O)N1CCCC1 1458a_100000174002_100011194422 [1,0,0,1,0,0|2,0,0]=4 895 B15R1.593 CSCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000751147 [1,0,0,1,0,0|2,0,0]=4 896 B15R1.593 O=C(CCCF)CCC(=O)N1CCCC1 1458a_200000187315_100011934791 [1,0,0,1,0,0|2,0,0]=4 897 B15R1.593 O=C(CCCO)CCC(=O)N1CCCC1 1458a_200000187315_100011215043 [1,0,0,1,0,0|2,0,0]=4 898 B15R1.1207 CCCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210211 [1,0,0,1,0,0|2,0,0]=4 899 B15R1.1207 CCCCC(=O)NC1CCCCNC1=O 11a_100000698827_100000210183 [1,0,0,1,0,0|2,0,0]=4 900 B15R1.1207 CCCCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000210183 [1,0,0,1,0,0|2,0,0]=4 901 B15R1.1207 CCCCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000210183 [1,0,0,1,0,0|2,0,0]=4 902 B15R1.1207 CCCCC(=O)NC1CCCCNC1=O 527a_100000698827_100000210183 [1,0,0,1,0,0|2,0,0]=4 903 B15R1.9625 CCCOC(=O)OCC(=O)C1CC1CC 1458a_200011661523_200000139673 [1,0,0,1,0,0|2,0,0]=4 904 B15R1.9627 CCCNC(=O)CCC(=O)CC1CCC1 1458a_100000199543_100000763275 [1,0,0,1,0,0|2,0,0]=4 905 B15R1.9627 CCCNC(=O)CCC(=O)NC1CCC1 11a_100000749019_100000199543 [1,0,0,1,0,0|2,0,0]=4 906 B15R1.9627 CCCNC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000199543 [1,0,0,1,0,0|2,0,0]=4 907 B15R1.9627 CCCNC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000199543 [1,0,0,1,0,0|2,0,0]=4 908 B15R1.9627 CCCNC(=O)CCC(=O)NC1CCC1 527a_100000749019_100000199543 [1,0,0,1,0,0|2,0,0]=4 909 B15R1.9627 CCCOC(=O)OCC(=O)CC1CCC1 1458a_100000763092_200000139673 [1,0,0,1,0,0|2,0,0]=4 910 B15R1.9628 CCCNC(=O)CCC(=O)CCC1CC1 1458a_100000199543_100000694398 [1,0,0,1,0,0|2,0,0]=4 911 B15R1.9628 CCCNC(=O)CCC(=O)NCC1CC1 11a_100000735609_100000199543 [1,0,0,1,0,0|2,0,0]=4 912 B15R1.9628 CCCNC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000199543 [1,0,0,1,0,0|2,0,0]=4 913 B15R1.9628 CCCNC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000199543 [1,0,0,1,0,0|2,0,0]=4 914 B15R1.9628 CCCNC(=O)CCC(=O)NCC1CC1 527a_100000735609_100000199543 [1,0,0,1,0,0|2,0,0]=4 915 B15R1.9628 CCCOC(=O)OCC(=O)CCC1CC1 1458a_100000756386_200000139673 [1,0,0,1,0,0|2,0,0]=4 916 B15R1.9629 CCCNC(=O)CCC(=O)N1CCC1C 11a_100000755817_100000199543 [1,0,0,1,0,0|2,0,0]=4 917 B15R1.9629 CCCNC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100000199543 [1,0,0,1,0,0|2,0,0]=4 918 B15R1.9629 CCCNC(=O)CCC(=O)N1CCC1C 527a_100000755817_100000199543 [1,0,0,1,0,0|2,0,0]=4 919 B15R1.12135 N#CCCOC(=O)CCC(=O)C1CCC1 1458a_200009922858_100000749161 [1,0,0,1,0,0|1,0,1]=4 920 B15R1.12137 N#CCCOC(=O)CCC(=O)CC1CC1 1458a_200009922858_100000742324 [1,0,0,1,0,0|1,0,1]=4 921 B15R1.51 CCCCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_200012276598 [0,0,0,1,1,0|2,0,0]=4 922 B15R1.51 CCCCCC(=O)CC(=O)N1CCCC1 1458a_100000212188_100000183516 [0,0,0,1,1,0|2,0,0]=4 923 B15R1.51 CCCCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000182744 [0,0,0,1,1,0|2,0,0]=4 924 B15R1.51 CCCCOC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000211628 [0,0,0,1,1,0|1,0,1]=4 925 B15R1.51 CCCCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000211628 [0,0,0,1,1,0|1,0,0]=3 926 B15R1.51 CCCCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000211628 [0,0,0,1,1,0|2,0,0]=4 927 B15R1.51 CCCCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000211628 [0,0,0,1,1,0|2,0,0]=4 928 B15R1.51 CCCCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000211628 [0,0,0,1,1,0|2,0,0]=4 929 B15R1.51 COCCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_200000040189 [0,0,0,1,1,0|2,0,0]=4 930 B15R1.4144 CCC1CC1C(=O)CC(=O)OCCOC 1458a_200011661523_200000040189 [0,0,0,1,1,0|2,0,0]=4 931 B15R1.4144 CCCCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_200012276598 [0,0,0,1,1,0|2,0,0]=4 932 B15R1.4144 CCCCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000182744 [0,0,0,1,1,0|2,0,0]=4 933 B15R1.4144 CCCCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000211628 [0,0,0,1,1,0|1,0,0]=3 934 B15R1.4146 CCCCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_200012276598 [0,0,0,1,1,0|2,0,0]=4 935 B15R1.4146 CCCCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000182744 [0,0,0,1,1,0|2,0,0]=4 936 B15R1.4146 CCCCOC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000211628 [0,0,0,1,1,0|1,0,1]=4 937 B15R1.4146 CCCCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000211628 [0,0,0,1,1,0|1,0,0]=3 938 B15R1.4146 CCCCOC(=O)CC(=O)CC1COC1 1458a_100000687760_100000211628 [0,0,0,1,1,0|2,0,0]=4 939 B15R1.4146 COCCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_200000040189 [0,0,0,1,1,0|2,0,0]=4 940 B15R1.4147 CCCCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_200012276598 [0,0,0,1,1,0|2,0,0]=4 941 B15R1.4147 CCCCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000182744 [0,0,0,1,1,0|2,0,0]=4 942 B15R1.4147 CCCCOC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000211628 [0,0,0,1,1,0|1,0,1]=4 943 B15R1.4147 CCCCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000211628 [0,0,0,1,1,0|1,0,0]=3 944 B15R1.4147 COCCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_200000040189 [0,0,0,1,1,0|2,0,0]=4 945 B17R1.1842 CCCCCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210326 [0,0,0,1,0,1|2,0,0]=4 946 B17R1.1842 CCCCCC(=O)CNC1CCCCNC1=O 2230a_100000698827_200012276598 [0,0,0,1,0,1|2,0,0]=4 947 B17R1.1842 CCCCCC(=O)CNC1CCCCNC1=O 34a_100000698827_200012276598 [0,0,0,1,0,1|2,0,0]=4 948 B17R1.1842 CCCCCC(=O)CSC1CCCCCC1=O 62a_100000243696_200012276598 [0,0,0,1,0,1|2,0,0]=4 949 B17R1.1842 CCCCCC(=O)CSC1CCCCCC1=O 62a_200012276598_100000243696 [0,0,0,1,0,1|2,0,0]=4 950 B17R1.1842 CCCCCC(=O)CSC1CCCCNC1=O 62a_100000735217_200012276598 [0,0,0,1,0,1|2,0,0]=4 951 B17R1.1842 CCCCCC(=O)CSC1CCCCNC1=O 62a_200012276598_100000735217 [0,0,0,1,0,1|2,0,0]=4 952 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 11a_100000102301_200011207554 [0,0,0,1,0,1|2,0,0]=4 953 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 1626a_100000102301_200011207554 [0,0,0,1,0,1|2,0,0]=4 954 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 240690a_100000102301_200011207554 [0,0,0,1,0,1|2,0,0]=4 955 B17R1.1842 CCCCNC(=O)CCN1CCCCCC1=O 527a_100000102301_200011207554 [0,0,0,1,0,1|2,0,0]=4 956 B17R1.1842 CCCCNC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000182744 [0,0,0,1,0,1|2,0,0]=4 957 B17R1.1842 CCCCNC(=O)CNC1CCCCNC1=O 34a_100000698827_100000182744 [0,0,0,1,0,1|2,0,0]=4 958 B17R1.1842 CCCCNC(=O)CSC1CCCCCC1=O 62a_100000182744_100000243696 [0,0,0,1,0,1|2,0,0]=4 959 B17R1.1842 CCCCNC(=O)CSC1CCCCCC1=O 62a_100000243696_100000182744 [0,0,0,1,0,1|2,0,0]=4 960 B17R1.1842 CCCCNC(=O)CSC1CCCCNC1=O 62a_100000182744_100000735217 [0,0,0,1,0,1|2,0,0]=4 961 B17R1.1842 CCCCNC(=O)CSC1CCCCNC1=O 62a_100000735217_100000182744 [0,0,0,1,0,1|2,0,0]=4 962 B17R1.1842 CCCCOC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000211628 [0,0,0,1,0,1|1,0,0]=3 963 B17R1.1842 CCCCOC(=O)CNC1CCCCNC1=O 34a_100000698827_100000211628 [0,0,0,1,0,1|1,0,0]=3 964 B17R1.1842 CCCCOC(=O)CSC1CCCCCC1=O 62a_100000211628_100000243696 [0,0,0,1,0,1|1,0,0]=3 965 B17R1.1842 CCCCOC(=O)CSC1CCCCCC1=O 62a_100000243696_100000211628 [0,0,0,1,0,1|1,0,0]=3 966 B17R1.1842 CCCCOC(=O)CSC1CCCCNC1=O 62a_100000211628_100000735217 [0,0,0,1,0,1|1,0,0]=3 967 B17R1.1842 CCCCOC(=O)CSC1CCCCNC1=O 62a_100000735217_100000211628 [0,0,0,1,0,1|1,0,0]=3 968 B17R1.1842 COCCOC(=O)CNC1CCCCNC1=O 2230a_100000698827_200000040189 [0,0,0,1,0,1|2,0,0]=4 969 B17R1.1842 COCCOC(=O)CNC1CCCCNC1=O 34a_100000698827_200000040189 [0,0,0,1,0,1|2,0,0]=4 970 B17R1.1842 COCCOC(=O)CSC1CCCCCC1=O 62a_100000243696_200000040189 [0,0,0,1,0,1|2,0,0]=4 971 B17R1.1842 COCCOC(=O)CSC1CCCCCC1=O 62a_200000040189_100000243696 [0,0,0,1,0,1|2,0,0]=4 972 B17R1.1842 COCCOC(=O)CSC1CCCCNC1=O 62a_100000735217_200000040189 [0,0,0,1,0,1|2,0,0]=4 973 B17R1.1842 COCCOC(=O)CSC1CCCCNC1=O 62a_200000040189_100000735217 [0,0,0,1,0,1|2,0,0]=4 974 B17R1.1872 CCCCCC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_100000210326 [0,0,0,1,0,1|2,0,0]=4 975 B17R1.1872 CCCCCC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_200012276598 [0,0,0,1,0,1|2,0,0]=4 976 B17R1.1872 CCCCCC(=O)COCC(=O)N1CCCC1 7a_200000752455_200012276598 [0,0,0,1,0,1|2,0,0]=4 977 B17R1.1872 CCCCCC(=O)CSCC(=O)N1CCCC1 62a_100000183516_200012276598 [0,0,0,1,0,1|2,0,0]=4 978 B17R1.1872 CCCCCC(=O)CSCC(=O)N1CCCC1 62a_200012276598_100000183516 [0,0,0,1,0,1|2,0,0]=4 979 B17R1.1872 CCCCCC(=O)NCCC(=O)N1CCCC1 11a_100015186530_100000212188 [0,0,0,1,0,1|2,0,0]=4 980 B17R1.1872 CCCCCC(=O)NCCC(=O)N1CCCC1 1626a_100015186530_100000212188 [0,0,0,1,0,1|2,0,0]=4 981 B17R1.1872 CCCCCC(=O)NCCC(=O)N1CCCC1 240690a_100015186530_100000212188 [0,0,0,1,0,1|2,0,0]=4 982 B17R1.1872 CCCCCC(=O)NCCC(=O)N1CCCC1 527a_100015186530_100000212188 [0,0,0,1,0,1|2,0,0]=4 983 B17R1.1872 CCCCNC(=O)CCCC(=O)N1CCCC1 11a_100000102301_100000199733 [0,0,0,1,0,1|2,0,0]=4 984 B17R1.1872 CCCCNC(=O)CCCC(=O)N1CCCC1 1626a_100000102301_100000199733 [0,0,0,1,0,1|2,0,0]=4 985 B17R1.1872 CCCCNC(=O)CCCC(=O)N1CCCC1 240690a_100000102301_100000199733 [0,0,0,1,0,1|2,0,0]=4 986 B17R1.1872 CCCCNC(=O)CCCC(=O)N1CCCC1 527a_100000102301_100000199733 [0,0,0,1,0,1|2,0,0]=4 987 B17R1.1872 CCCCNC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_100000182744 [0,0,0,1,0,1|2,0,0]=4 988 B17R1.1872 CCCCNC(=O)COCC(=O)N1CCCC1 7a_200000752455_100000182744 [0,0,0,1,0,1|2,0,0]=4 989 B17R1.1872 CCCCNC(=O)CSCC(=O)N1CCCC1 62a_100000182744_100000183516 [0,0,0,1,0,1|2,0,0]=4 990 B17R1.1872 CCCCNC(=O)CSCC(=O)N1CCCC1 62a_100000183516_100000182744 [0,0,0,1,0,1|2,0,0]=4 991 B17R1.1872 CCCCNC(=O)NCCC(=O)N1CCCC1 2708a_100000102301_100015186530 [0,0,0,1,0,1|2,0,0]=4 992 B17R1.1872 CCCCNC(=O)NCCC(=O)N1CCCC1 2708a_100015186530_100000102301 [0,0,0,1,0,1|2,0,0]=4 993 B17R1.1872 CCCCNC(=O)NCCC(=O)N1CCCC1 273464a_100000102301_100015186530 [0,0,0,1,0,1|2,0,0]=4 994 B17R1.1872 CCCCNC(=O)NCCC(=O)N1CCCC1 273464a_100015186530_100000102301 [0,0,0,1,0,1|2,0,0]=4 995 B17R1.1872 CCCCNC(=O)NCCC(=O)N1CCCC1 512a_100000102301_100015186530 [0,0,0,1,0,1|2,0,0]=4 996 B17R1.1872 CCCCNC(=O)NCCC(=O)N1CCCC1 512a_100015186530_100000102301 [0,0,0,1,0,1|2,0,0]=4 997 B17R1.1872 CCCCOC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_100000211628 [0,0,0,1,0,1|1,0,0]=3 998 B17R1.1872 CCCCOC(=O)COCC(=O)N1CCCC1 7a_200000752455_100000211628 [0,0,0,1,0,1|1,0,0]=3 999 B17R1.1872 CCCCOC(=O)CSCC(=O)N1CCCC1 62a_100000183516_100000211628 [0,0,0,1,0,1|1,0,0]=3 1000 B17R1.1872 CCCCOC(=O)CSCC(=O)N1CCCC1 62a_100000211628_100000183516 [0,0,0,1,0,1|1,0,0]=3 1001 B17R1.1872 COCCOC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_200000040189 [0,0,0,1,0,1|2,0,0]=4 1002 B17R1.1872 COCCOC(=O)COCC(=O)N1CCCC1 7a_200000752455_200000040189 [0,0,0,1,0,1|2,0,0]=4 1003 B17R1.1872 COCCOC(=O)CSCC(=O)N1CCCC1 62a_100000183516_200000040189 [0,0,0,1,0,1|2,0,0]=4 1004 B17R1.1872 COCCOC(=O)CSCC(=O)N1CCCC1 62a_200000040189_100000183516 [0,0,0,1,0,1|2,0,0]=4 1005 B17R1.1299 CCCCCC(=O)CCC(=O)N1CCCCC1 1458a_100000212188_100102558178 [0,1,0,1,0,0|2,0,0]=4 1006 B17R1.1299 CCCCCC(=O)CCC(=O)N1CCCCC1 1458a_200000243808_100000210326 [0,1,0,1,0,0|2,0,0]=4 1007 B17R1.1299 CCCCCC(=O)CCC(=O)N1CCOCC1 1458a_100000183577_100000210326 [0,1,0,1,0,0|2,0,0]=4 1008 B17R1.1299 CCCCCC(=O)CCC(=O)N1CCOCC1 1458a_100000212188_100000739706 [0,1,0,1,0,0|2,0,0]=4 1009 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCCCC1 11a_100000102301_200000243808 [0,1,0,1,0,0|2,0,0]=4 1010 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCCCC1 1626a_100000102301_200000243808 [0,1,0,1,0,0|2,0,0]=4 1011 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCCCC1 240690a_100000102301_200000243808 [0,1,0,1,0,0|2,0,0]=4 1012 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCCCC1 527a_100000102301_200000243808 [0,1,0,1,0,0|2,0,0]=4 1013 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCOCC1 1626a_100000102301_100000183577 [0,1,0,1,0,0|2,0,0]=4 1014 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCOCC1 240690a_100000102301_100000183577 [0,1,0,1,0,0|2,0,0]=4 1015 B17R1.1299 CCCCNC(=O)CCC(=O)N1CCOCC1 527a_100000102301_100000183577 [0,1,0,1,0,0|2,0,0]=4 1016 B17R1.1492 CCCCC=CC(=O)CCC(=O)N1CCCC1 1458a_100016266645_100011194422 [0,1,0,1,0,0|2,0,0]=4 1017 B17R1.1492 CCCCCCC(=O)CCC(=O)N1CCCC1 1458a_100102632555_100011194422 [0,1,0,1,0,0|2,0,0]=4 1018 B17R1.1492 CCCCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210757 [0,1,0,1,0,0|2,0,0]=4 1019 B17R1.1492 CCCCCNC(=O)CCC(=O)N1CCCC1 11a_100000209983_200000187315 [0,1,0,1,0,0|2,0,0]=4 1020 B17R1.1492 CCCCCNC(=O)CCC(=O)N1CCCC1 1626a_100000209983_200000187315 [0,1,0,1,0,0|2,0,0]=4 1021 B17R1.1492 CCCCCNC(=O)CCC(=O)N1CCCC1 240690a_100000209983_200000187315 [0,1,0,1,0,0|2,0,0]=4 1022 B17R1.1492 CCCCNNC(=O)CCC(=O)N1CCCC1 22a_100025702795_200000187315 [0,1,0,1,0,0|2,0,0]=4 1023 B17R1.1492 CCCCOCC(=O)CCC(=O)N1CCCC1 1458a_100000757543_100011194422 [0,1,0,1,0,0|1,0,0]=3 1024 B17R1.1492 CCCCOCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100011995733 [0,1,0,1,0,0|1,0,0]=3 1025 B17R1.1492 CCCCOCC(=O)NCC(=O)N1CCCC1 11a_100000751844_100000757543 [0,1,0,1,0,0|2,0,0]=4 1026 B17R1.1492 CCCCOCC(=O)NCC(=O)N1CCCC1 1626a_100000751844_100000757543 [0,1,0,1,0,0|2,0,0]=4 1027 B17R1.1492 CCCCOCC(=O)NCC(=O)N1CCCC1 240690a_100000751844_100000757543 [0,1,0,1,0,0|2,0,0]=4 1028 B17R1.1492 CCCCOCC(=O)NCC(=O)N1CCCC1 34a_100000210227_100000736036 [0,1,0,1,0,0|2,0,0]=4 1029 B17R1.1492 CCCCOCC(=O)NCC(=O)N1CCCC1 527a_100000751844_100000757543 [0,1,0,1,0,0|2,0,0]=4 1030 B17R1.1492 CCCCOCC(=O)NCC(=O)N1CCCC1 7a_100000210227_100000736036 [0,1,0,1,0,0|2,0,0]=4 1031 B17R1.1492 CCCCSCC(=O)CCC(=O)N1CCCC1 1458a_100000191162_100011194422 [0,1,0,1,0,0|1,1,0]=4 1032 B17R1.1492 CCCOCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100011215938 [0,1,0,1,0,0|2,0,0]=4 1033 B17R1.1492 CCOCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100012232248 [0,1,0,1,0,0|2,0,0]=4 1034 B17R1.1492 CCOCCNC(=O)CCC(=O)N1CCCC1 11a_100011200944_200000187315 [0,1,0,1,0,0|2,0,0]=4 1035 B17R1.1492 CCOCCNC(=O)CCC(=O)N1CCCC1 1626a_102516460346_200000187315 [0,1,0,1,0,0|2,0,0]=4 1036 B17R1.1492 CCOCCNC(=O)CCC(=O)N1CCCC1 240690a_100011200944_200000187315 [0,1,0,1,0,0|2,0,0]=4 1037 B17R1.1492 CCSCCNC(=O)CCC(=O)N1CCCC1 11a_100000106463_200000187315 [0,1,0,1,0,0|2,0,0]=4 1038 B17R1.1492 CCSCCNC(=O)CCC(=O)N1CCCC1 1626a_100000106463_200000187315 [0,1,0,1,0,0|2,0,0]=4 1039 B17R1.1492 CCSCCNC(=O)CCC(=O)N1CCCC1 240690a_100000106463_200000187315 [0,1,0,1,0,0|2,0,0]=4 1040 B17R1.1492 COCCCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000755781 [0,1,0,1,0,0|2,0,0]=4 1041 B17R1.1492 COCCCNC(=O)CCC(=O)N1CCCC1 1626a_100150723488_200000187315 [0,1,0,1,0,0|2,0,0]=4 1042 B17R1.1492 COCCCNC(=O)CCC(=O)N1CCCC1 240690a_100150723488_200000187315 [0,1,0,1,0,0|2,0,0]=4 1043 B17R1.1492 COCCOCC(=O)CCC(=O)N1CCCC1 1458a_100000211095_100011194422 [0,1,0,1,0,0|2,0,0]=4 1044 B17R1.1492 CSCCCNC(=O)CCC(=O)N1CCCC1 11a_100000749238_200000187315 [0,1,0,1,0,0|2,0,0]=4 1045 B17R1.1492 CSCCCNC(=O)CCC(=O)N1CCCC1 1626a_100000749238_200000187315 [0,1,0,1,0,0|2,0,0]=4 1046 B17R1.1492 CSCCCNC(=O)CCC(=O)N1CCCC1 240690a_100000749238_200000187315 [0,1,0,1,0,0|2,0,0]=4 1047 B17R1.1492 O=C(CCC(=O)C1CCCC1)OCCCCO 1458a_200009914559_100000179811 [0,1,0,1,0,0|1,0,0]=3 1048 B17R1.1492 O=C(CCC(=O)C1CCOC1)OCCCCO 1458a_200009914559_100000690089 [0,1,0,1,0,0|2,0,0]=4 1049 B17R1.1492 O=C(CCC(=O)N1CCCC1)NCCCCO 240690a_100000750430_200000187315 [0,1,0,1,0,0|2,0,0]=4 1050 B17R1.1492 O=C(CCC(=O)N1CCCC1)OCCCCO 240690a_100000188435_200009914559 [0,1,0,1,0,0|1,0,0]=3 1051 B17R1.1492 O=C(CCC(=O)N1CCSC1)OCCCCO 240690a_100011215254_200009914559 [0,1,0,1,0,0|2,0,0]=4 1052 B17R1.1492 O=C(CCCCCF)CCC(=O)N1CCCC1 1458a_200000187315_100000729378 [0,1,0,1,0,0|2,0,0]=4 1053 B17R1.1492 O=C(CCCCCO)CCC(=O)N1CCCC1 1458a_100102619762_100011194422 [0,1,0,1,0,0|2,0,0]=4 1054 B17R1.1492 O=C(CCCCCO)CCC(=O)N1CCCC1 1458a_200000187315_100000746330 [0,1,0,1,0,0|2,0,0]=4 1055 B17R1.1874 CCCCCC(=O)CCC(=O)NC1CCCC1 1458a_100000199707_100000210326 [0,1,0,1,0,0|2,0,0]=4 1056 B17R1.1874 CCCCCC(=O)CCC(=O)NC1CCCC1 1458a_100000212188_100000743710 [0,1,0,1,0,0|2,0,0]=4 1057 B17R1.1874 CCCCNC(=O)CCC(=O)NC1CCCC1 11a_100000102301_100000199707 [0,1,0,1,0,0|2,0,0]=4 1058 B17R1.1874 CCCCNC(=O)CCC(=O)NC1CCCC1 1626a_100000102301_100000199707 [0,1,0,1,0,0|2,0,0]=4 1059 B17R1.1874 CCCCNC(=O)CCC(=O)NC1CCCC1 240690a_100000102301_100000199707 [0,1,0,1,0,0|2,0,0]=4 1060 B17R1.1874 CCCCNC(=O)CCC(=O)NC1CCCC1 527a_100000102301_100000199707 [0,1,0,1,0,0|2,0,0]=4 1061 B17R1.3441 CCCCOC(=O)CCC(=NNC1CCC1)C 4a_100000736358_200011212340 [0,1,0,1,0,0|2,0,0]=4 1062 B17R1.3442 CCCCOC(=O)CCC(=NNCC1CC1)C 4a_100000736359_200011212340 [0,1,0,1,0,0|2,0,0]=4 1063 B17R1.5073 CCCCOCC(=O)CN1CCCCCC1=O 1458a_100000181294_100011995733 [0,1,0,1,0,0|2,0,0]=4 1064 B17R1.5073 CCCCOCC(=O)NC1CCCCNC1=O 11a_100000698827_100000757543 [0,1,0,1,0,0|2,0,0]=4 1065 B17R1.5073 CCCCOCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000757543 [0,1,0,1,0,0|2,0,0]=4 1066 B17R1.5073 CCCCOCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000757543 [0,1,0,1,0,0|2,0,0]=4 1067 B17R1.5073 CCCCOCC(=O)NC1CCCCNC1=O 527a_100000698827_100000757543 [0,1,0,1,0,0|2,0,0]=4 1068 B17R1.5073 CCCCOCC(=O)NC1CCCCNC1=O 7a_100000210227_200000738812 [0,1,0,1,0,0|2,0,0]=4 1069 B17R1.29661 O=C(CCC(=O)OCCCCO)N[C@@H]1C[C@@H]1F 240690a_100015190264_200009914559 [0,1,0,1,0,0|2,0,0]=4 1070 B17R1.29661 O=C(CCC(=O)OCCCCO)N[C@@H]1C[C@H]1F 1626a_100025746932_200009914559 [0,1,0,1,0,0|2,0,0]=4 1071 B17R1.29661 O=C(CCC(=O)OCCCCO)N[C@@H]1C[C@H]1F 240690a_100025746932_200009914559 [0,1,0,1,0,0|2,0,0]=4 1072 B17R1.29662 O=C(CCC(=O)OCCCCO)CC1CCC1 1458a_200009914559_100000763275 [0,1,0,1,0,0|1,0,0]=3 1073 B17R1.29662 O=C(CCC(=O)OCCCCO)CC1CCO1 1458a_200009914559_100000103362 [0,1,0,1,0,0|2,0,0]=4 1074 B17R1.29662 O=C(CCC(=O)OCCCCO)CC1COC1 1458a_200009914559_100010264016 [0,1,0,1,0,0|2,0,0]=4 1075 B17R1.29662 O=C(CCC(=O)OCCCCO)NC1CCC1 1626a_100000749019_200009914559 [0,1,0,1,0,0|1,0,0]=3 1076 B17R1.29662 O=C(CCC(=O)OCCCCO)NC1CCC1 240690a_100000749019_200009914559 [0,1,0,1,0,0|1,0,0]=3 1077 B17R1.29662 O=C(CCC(=O)OCCCCO)NC1COC1 1626a_100016991112_200009914559 [0,1,0,1,0,0|2,0,0]=4 1078 B17R1.29662 O=C(CCC(=O)OCCCCO)NC1COC1 240690a_100016991112_200009914559 [0,1,0,1,0,0|2,0,0]=4 1079 B17R1.29662 O=C(CCC(=O)OCCCCO)NC1CSC1 1626a_100016994217_200009914559 [0,1,0,1,0,0|2,0,0]=4 1080 B17R1.29662 O=C(CCC(=O)OCCCCO)NC1CSC1 240690a_100016994217_200009914559 [0,1,0,1,0,0|2,0,0]=4 1081 B17R1.29663 O=C(CCC(=O)OCCCCO)CCC1CC1 1458a_200009914559_100000694398 [0,1,0,1,0,0|1,0,0]=3 1082 B17R1.29663 O=C(CCC(=O)OCCCCO)CCC1CO1 1458a_200009914559_100000732470 [0,1,0,1,0,0|2,0,0]=4 1083 B17R1.29663 O=C(CCC(=O)OCCCCO)NCC1CC1 1626a_100000735609_200009914559 [0,1,0,1,0,0|1,0,0]=3 1084 B17R1.29663 O=C(CCC(=O)OCCCCO)NCC1CC1 240690a_100000735609_200009914559 [0,1,0,1,0,0|1,0,0]=3 1085 B17R1.29664 CC1CCN1C(=O)CCC(=O)OCCCCO 240690a_100000755817_200009914559 [0,1,0,1,0,0|1,0,0]=3 1086 B17R1.31993 CCCCCC(=O)CC1C(=O)NCCN1CC 1458a_100000243815_100000210326 [0,1,0,1,0,0|2,0,0]=4 1087 B17R1.31993 CCCCNC(=O)CC1C(=O)NCCN1CC 240690a_100000102301_100000243815 [0,1,0,1,0,0|2,0,0]=4 1088 B17R1.9301 CC(C)CCCC(=O)CCC(=O)N1CCCC1 1458a_100011216857_100011194422 [0,1,0,1,0,0|2,0,0]=4 1089 B17R1.9301 CC(C)CCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100011214892 [0,1,0,1,0,0|2,0,0]=4 1090 B17R1.9301 CC(C)CCNC(=O)CCC(=O)N1CCCC1 11a_100000210545_200000187315 [0,1,0,1,0,0|2,0,0]=4 1091 B17R1.9301 CC(C)CCNC(=O)CCC(=O)N1CCCC1 1626a_100000210545_200000187315 [0,1,0,1,0,0|2,0,0]=4 1092 B17R1.9301 CC(C)CCNC(=O)CCC(=O)N1CCCC1 240690a_100000210545_200000187315 [0,1,0,1,0,0|2,0,0]=4 1093 B17R1.9301 CC(O)CCCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_200000718107 [0,1,0,1,0,0|2,0,0]=4 1094 B17R1.9301 CC(O)CCNC(=O)CCC(=O)N1CCCC1 240690a_200000755665_200000187315 [0,1,0,1,0,0|2,0,0]=4 1095 B17R1.1011 CCCC(C)CC(=O)CCC(=O)N1CCCC1 1458a_100000748435_100011194422 [0,1,0,1,0,0|2,0,0]=4 1096 B17R1.1011 CCCC(C)CC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100011216630 [0,1,0,1,0,0|2,0,0]=4 1097 B17R1.1011 CCCC(C)NC(=O)CCC(=O)N1CCCC1 11a_100000741246_200000187315 [0,1,0,1,0,0|2,0,0]=4 1098 B17R1.1011 CCCC(C)NC(=O)CCC(=O)N1CCCC1 1626a_100000741246_200000187315 [0,1,0,1,0,0|2,0,0]=4 1099 B17R1.1011 CCCC(C)NC(=O)CCC(=O)N1CCCC1 240690a_100000741246_200000187315 [0,1,0,1,0,0|2,0,0]=4 1100 B17R1.1860 C=C(CC(=O)OCCCC)C(=O)N1CCCC1 240690a_100000188435_100000049090 [0,1,0,1,0,0|1,0,1]=4 1101 B17R1.3381 C=C(CC(=O)OCCCC)C(=O)NC1CCC1 1626a_100000749019_100000049090 [0,1,0,1,0,0|1,0,1]=4 1102 B17R1.3381 C=C(CC(=O)OCCCC)C(=O)NC1CCC1 240690a_100000749019_100000049090 [0,1,0,1,0,0|1,0,1]=4 1103 B17R1.3382 C=C(CC(=O)OCCCC)C(=O)NCC1CC1 1626a_100000735609_100000049090 [0,1,0,1,0,0|1,0,1]=4 1104 B17R1.3382 C=C(CC(=O)OCCCC)C(=O)NCC1CC1 240690a_100000735609_100000049090 [0,1,0,1,0,0|1,0,1]=4 1105 B17R1.3383 C=C(CC(=O)OCCCC)C(=O)N1CCC1C 240690a_100000755817_100000049090 [0,1,0,1,0,0|1,0,1]=4 1106 B17R1.1365 CCC(C)CCC(=O)CCC(=O)N1CCCC1 1458a_100000701222_100011194422 [0,1,0,1,0,0|2,0,0]=4 1107 B17R1.1365 CCC(C)CNC(=O)CCC(=O)N1CCCC1 11a_100020588543_200000187315 [0,1,0,1,0,0|2,0,0]=4 1108 B17R1.1365 CCC(C)CNC(=O)CCC(=O)N1CCCC1 1626a_100020588543_200000187315 [0,1,0,1,0,0|2,0,0]=4 1109 B17R1.1365 CCC(C)CNC(=O)CCC(=O)N1CCCC1 240690a_100020588543_200000187315 [0,1,0,1,0,0|2,0,0]=4 1110 B17R1.1365 CCC(O)CNC(=O)CCC(=O)N1CCCC1 11a_100011218483_200000187315 [0,1,0,1,0,0|2,0,0]=4 1111 B17R1.1365 CCC(O)CNC(=O)CCC(=O)N1CCCC1 240690a_100011218483_200000187315 [0,1,0,1,0,0|2,0,0]=4 1112 B17R1.1557 CCCCC(C)C(=O)CCC(=O)N1CCCC1 1458a_100000725509_100011194422 [0,1,0,1,0,0|2,0,0]=4 1113 B17R1.1557 CCCCC(C)C(=O)CCC(=O)N1CCCC1 1458a_200000187315_200011215066 [0,1,0,1,0,0|2,0,0]=4 1114 B17R1.1557 CCCCC(O)C(=O)CCC(=O)N1CCCC1 1458a_100000720857_100011194422 [0,1,0,1,0,0|2,0,0]=4 1115 B17R1.1557 CCCCN(C)C(=O)CCC(=O)N1CCCC1 11a_100000207549_200000187315 [0,1,0,1,0,0|2,0,0]=4 1116 B17R1.1557 CCCCN(C)C(=O)CCC(=O)N1CCCC1 1626a_100000207549_200000187315 [0,1,0,1,0,0|2,0,0]=4 1117 B17R1.1557 CCCCN(C)C(=O)CCC(=O)N1CCCC1 240690a_100000207549_200000187315 [0,1,0,1,0,0|2,0,0]=4 1118 B17R2.1004 CCC1CC1C(=O)CCC(=O)N2CCCC2 1458a_200011661523_100011194422 [0,0,0,2,0,0|2,0,0]=4 1119 B17R2.5342 CC1CCN1C(=O)CCC(=O)N2CCCC2 11a_100000755817_200000187315 [0,0,0,2,0,0|2,0,0]=4 1120 B17R2.5342 CC1CCN1C(=O)CCC(=O)N2CCCC2 240690a_100000755817_200000187315 [0,0,0,2,0,0|2,0,0]=4 1121 B17R2.45540 O=C(CCC(=O)N1CCCC1)C2CCCC2 1458a_100000210718_100011194422 [0,0,0,2,0,0|2,0,0]=4 1122 B17R2.45540 O=C(CCC(=O)N1CCCC1)C2CCCC2 1458a_200000187315_100000179811 [0,0,0,2,0,0|2,0,0]=4 1123 B17R2.45540 O=C(CCC(=O)N1CCCC1)N2CCCC2 240690a_100000188435_200000187315 [0,0,0,2,0,0|2,0,0]=4 1124 B17R2.45676 O=C(CCC(=O)N1CCCC1)CCC2CC2 1458a_100000756386_100011194422 [0,0,0,2,0,0|2,0,0]=4 1125 B17R2.45676 O=C(CCC(=O)N1CCCC1)CCC2CC2 1458a_200000187315_100000694398 [0,0,0,2,0,0|2,0,0]=4 1126 B17R2.45676 O=C(CCC(=O)N1CCCC1)NCC2CC2 11a_100000735609_200000187315 [0,0,0,2,0,0|2,0,0]=4 1127 B17R2.45676 O=C(CCC(=O)N1CCCC1)NCC2CC2 1626a_100000735609_200000187315 [0,0,0,2,0,0|2,0,0]=4 1128 B17R2.45676 O=C(CCC(=O)N1CCCC1)NCC2CC2 240690a_100000735609_200000187315 [0,0,0,2,0,0|2,0,0]=4 1129 B17R2.970148 O=C(CCC(=O)N1CCCC1)CC2CCC2 1458a_100000763092_100011194422 [0,0,0,2,0,0|2,0,0]=4 1130 B17R2.970148 O=C(CCC(=O)N1CCCC1)CC2CCC2 1458a_200000187315_100000763275 [0,0,0,2,0,0|2,0,0]=4 1131 B17R2.970148 O=C(CCC(=O)N1CCCC1)NC2CCC2 11a_100000749019_200000187315 [0,0,0,2,0,0|2,0,0]=4 1132 B17R2.970148 O=C(CCC(=O)N1CCCC1)NC2CCC2 1626a_100000749019_200000187315 [0,0,0,2,0,0|2,0,0]=4 1133 B17R2.970148 O=C(CCC(=O)N1CCCC1)NC2CCC2 240690a_100000749019_200000187315 [0,0,0,2,0,0|2,0,0]=4 1134 B17R2.728799 CCCCCC(=O)CN1C(=O)OCC12CC2 1458a_200020760355_100000210326 [0,0,0,2,0,0|2,0,0]=4 1135 B17R2.728799 CCCCNC(=O)CN1C(=O)OCC12CC2 11a_100000102301_200020760355 [0,0,0,2,0,0|2,0,0]=4 1136 B17R2.728799 CCCCNC(=O)CN1C(=O)OCC12CC2 1626a_100000102301_200020760355 [0,0,0,2,0,0|2,0,0]=4 1137 B17R2.728799 CCCCNC(=O)CN1C(=O)OCC12CC2 240690a_100000102301_200020760355 [0,0,0,2,0,0|2,0,0]=4 1138 B17R2.728799 CCCCNC(=O)CN1C(=O)OCC12CC2 527a_100000102301_200020760355 [0,0,0,2,0,0|2,0,0]=4 1139 B13R0.195 C#CCCC(=O)CC(=O)OCCCC 1458a_100000692101_100000211628 [1,0,0,0,1,0|0,0,2]=4 1140 B13R0.195 C=CCCC(=O)CC(=O)OCCCC 1458a_100000749702_100000211628 [1,0,0,0,1,0|0,0,2]=4 1141 B13R0.195 CC=CCC(=O)CC(=O)OCCCC 1458a_100121576822_100000211628 [1,0,0,0,1,0|0,0,2]=4 1142 B13R0.195 CCC#CC(=O)CC(=O)OCCCC 1458a_100011827653_100000211628 [1,0,0,0,1,0|0,0,2]=4 1143 B13R0.195 CCC=CC(=O)CC(=O)OCCCC 1458a_100000212282_100000211628 [1,0,0,0,1,0|0,0,2]=4 1144 B13R0.195 CCCC#CC(=O)CC(=O)OCCC 1458a_200011218047_200011215008 [1,0,0,0,1,0|1,0,1]=4 1145 B13R0.195 CCCC=CC(=O)CC(=O)OCCC 1458a_100000212230_200011215008 [1,0,0,0,1,0|1,0,1]=4 1146 B13R0.195 CCCCC(=O)CC(=O)NCCOC 1458a_100000210183_100000183275 [1,0,0,0,1,0|2,0,0]=4 1147 B13R0.195 CCCCC(=O)CC(=O)OCCOC 1458a_100000210183_200000040189 [1,0,0,0,1,0|1,0,0]=3 1148 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [1,0,0,0,1,0|1,0,0]=3 1149 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [1,0,0,0,1,0|2,0,0]=4 1150 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [1,0,0,0,1,0|2,0,0]=4 1151 B13R0.195 CCCCCC(=O)CC(=O)COCC 1458a_100000211967_200012276598 [1,0,0,0,1,0|2,0,0]=4 1152 B13R0.195 CCCCCC(=O)CC(=O)CSCC 1458a_100000230394_200012276598 [1,0,0,0,1,0|2,0,0]=4 1153 B13R0.195 CCCCCC(=O)CC(=O)NCCC 1458a_100000212188_100000183358 [1,0,0,0,1,0|2,0,0]=4 1154 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [1,0,0,0,1,0|1,0,0]=3 1155 B13R0.195 CCCCNC(=O)CC(=O)CCCC 1458a_100000210183_100000182744 [1,0,0,0,1,0|1,0,0]=3 1156 B13R0.195 CCCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000182744 [1,0,0,0,1,0|2,0,0]=4 1157 B13R0.195 CCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000182744 [1,0,0,0,1,0|2,0,0]=4 1158 B13R0.195 CCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000182744 [1,0,0,0,1,0|2,0,0]=4 1159 B13R0.195 CCCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000182744 [1,0,0,0,1,0|2,0,0]=4 1160 B13R0.195 CCCCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000211628 [1,0,0,0,1,0|1,0,1]=4 1161 B13R0.195 CCCCOC(=O)CC(=O)CCCC 1458a_100000210183_100000211628 [1,0,0,0,1,0|0,0,0]=2 1162 B13R0.195 CCCCOC(=O)CC(=O)CCOC 1458a_100000749529_100000211628 [1,0,0,0,1,0|1,0,0]=3 1163 B13R0.195 CCCCOC(=O)CC(=O)CCSC 1458a_100000174002_100000211628 [1,0,0,0,1,0|1,0,0]=3 1164 B13R0.195 CCCCOC(=O)CC(=O)COCC 1458a_100000211967_100000211628 [1,0,0,0,1,0|1,0,0]=3 1165 B13R0.195 CCCCOC(=O)CC(=O)CSCC 1458a_100000230394_100000211628 [1,0,0,0,1,0|1,0,0]=3 1166 B13R0.195 CCCCOC(=O)CN(C)CCCC 2230a_100000207549_100000211628 [1,0,0,0,1,0|2,0,0]=4 1167 B13R0.195 CCCCOC(=O)CN(C)CCCC 269982a_100000207549_100000211628 [1,0,0,0,1,0|2,0,0]=4 1168 B13R0.195 CCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200011215008 [1,0,0,0,1,0|2,0,0]=4 1169 B13R0.195 CCCOC(=O)CC(=O)CCCOC 1458a_100000741012_200011215008 [1,0,0,0,1,0|2,0,0]=4 1170 B13R0.195 CCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200011215008 [1,0,0,0,1,0|2,0,0]=4 1171 B13R0.195 CCCOC(=O)CC(=O)CCOCC 1458a_100000749530_200011215008 [1,0,0,0,1,0|2,0,0]=4 1172 B13R0.195 CCCOC(=O)CC(=O)CCSCC 1458a_100000230768_200011215008 [1,0,0,0,1,0|2,0,0]=4 1173 B13R0.195 CCCOC(=O)CC(=O)CSCCC 1458a_100000217233_200011215008 [1,0,0,0,1,0|2,0,0]=4 1174 B13R0.195 CCCOCC(=O)CC(=O)OCCC 1458a_100000745993_200011215008 [1,0,0,0,1,0|2,0,0]=4 1175 B13R0.195 CCOCC(=O)CC(=O)OCCOC 1458a_100000211967_200000040189 [1,0,0,0,1,0|2,0,0]=4 1176 B13R0.195 CCSCC(=O)CC(=O)OCCOC 1458a_100000230394_200000040189 [1,0,0,0,1,0|2,0,0]=4 1177 B13R0.195 COCCOC(=O)CC(=O)CCOC 1458a_100000749529_200000040189 [1,0,0,0,1,0|2,0,0]=4 1178 B13R0.195 COCCOC(=O)CC(=O)CCSC 1458a_100000174002_200000040189 [1,0,0,0,1,0|2,0,0]=4 1179 B13R0.398 CCCCOC(=O)C(C)OCCCC 34a_100000038973_100000210210 [0,0,0,0,2,0|1,0,1]=4 1180 B13R0.398 CCCCOC(=O)C(C)OCCCC 34a_100000210227_100000759602 [0,0,0,0,2,0|1,0,1]=4 1181 B13R0.398 CCCCOC(=O)C(C)OCCCC 7a_100000038973_100000210211 [0,0,0,0,2,0|1,0,1]=4 1182 B13R0.398 CCCCOC(=O)C(C)OCCCC 7a_100000210227_100000759602 [0,0,0,0,2,0|1,0,1]=4