0 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,1]=4 21 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,1]=3 25 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,1]=3 26 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 32 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|2,0,1]=4 33 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|2,0,1]=4 34 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,2]=4 35 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,2]=4 36 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,2]=4 37 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,2]=4 38 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,2]=4 39 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,2]=4 40 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,0,2]=4 41 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,0,2]=4 42 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,1]=4 43 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,1]=4 44 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,0,1]=4 45 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,0,1]=4 46 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|1,0,2]=4 47 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|1,0,2]=4 48 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|2,0,1]=4 49 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|2,0,1]=4 50 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|1,0,2]=4 51 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|1,0,2]=4 52 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|1,0,2]=4 53 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|1,0,2]=4 54 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|1,0,2]=4 55 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|1,0,2]=4 56 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|1,0,2]=4 57 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|1,0,2]=4 58 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [0,1,0,0,0,0|2,0,1]=4 59 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [0,1,0,0,0,0|2,0,1]=4 60 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [0,1,0,0,0,0|2,0,1]=4 61 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [0,1,0,0,0,0|2,0,1]=4 62 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,1,0,0,0,0|2,0,1]=4 65 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,1,0,0,0,0|2,0,1]=4 66 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,1,0,0,0,0|2,0,0]=3 67 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,1,0,0,0,0|2,0,0]=3 68 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,1,0,0,0,0|3,0,0]=4 69 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|1,0,2]=4 71 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|1,0,2]=4 72 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [0,0,0,1,0,0|2,0,1]=4 73 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [0,0,0,1,0,0|2,0,1]=4 74 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [0,0,0,1,0,0|2,0,1]=4 75 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [0,0,0,1,0,0|2,0,1]=4 76 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [0,0,0,1,0,0|2,0,1]=4 77 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [0,0,0,1,0,0|2,0,1]=4 78 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|1,0,2]=4 79 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|1,0,2]=4 80 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [0,0,0,1,0,0|2,0,1]=4 81 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [0,0,0,1,0,0|2,0,1]=4 82 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [0,0,0,1,0,0|1,0,2]=4 83 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [0,0,0,1,0,0|2,0,1]=4 84 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [0,0,0,1,0,0|2,0,1]=4 85 B11R1.222 CCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0064 [0,0,0,1,0,0|2,0,1]=4 86 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|1,0,2]=4 87 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|1,0,2]=4 88 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [0,0,0,1,0,0|2,0,1]=4 89 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [0,0,0,1,0,0|2,0,1]=4 90 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,1]=4 91 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,1]=4 92 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 93 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 94 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [2,0,0,0,0,0|2,0,0]=4 95 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [2,0,0,0,0,0|2,0,0]=4 96 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [2,0,0,0,0,0|1,0,0]=3 97 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [2,0,0,0,0,0|1,0,0]=3 98 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [2,0,0,0,0,0|2,0,0]=4 99 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [2,0,0,0,0,0|2,0,0]=4 100 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [2,0,0,0,0,0|1,0,0]=3 101 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [2,0,0,0,0,0|1,0,0]=3 102 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 105 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 106 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 108 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 110 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [1,1,0,0,0,0|2,0,0]=4 111 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [1,1,0,0,0,0|2,0,0]=4 112 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|2,0,0]=4 113 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|2,0,0]=4 114 B10R0.55 CCC(=O)NCCNC(=O)C WXVL_AK0057SB0064 [1,1,0,0,0,0|2,0,0]=4 115 B10R0.55 CCC(=O)NCCNC(=O)C WXVL_AK0057SB0064 [1,1,0,0,0,0|2,0,0]=4 116 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [1,1,0,0,0,0|2,0,0]=4 117 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [1,1,0,0,0,0|2,0,0]=4 118 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|2,0,0]=4 119 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|2,0,0]=4 120 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,2,0,0,0,0|2,0,0]=4 121 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,2,0,0,0,0|2,0,0]=4 122 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,2,0,0,0,0|2,0,0]=4 123 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,2,0,0,0,0|2,0,0]=4 124 B12R0.279 CCOC(=O)CCNC(=O)C(C)C WXVL_AK0465SB0052 [0,2,0,0,0,0|2,0,0]=4 125 B12R0.279 CCOC(=O)CCNC(=O)C(C)C WXVL_AK0465SB0052 [0,2,0,0,0,0|2,0,0]=4 126 B12R0.279 CCOC(=O)CCNC(=O)C(C)S WXVL_AK0465SB2708 [0,2,0,0,0,0|2,0,0]=4 127 B12R0.279 CCOC(=O)CCNC(=O)C(C)S WXVL_AK0465SB2708 [0,2,0,0,0,0|2,0,0]=4 128 B12R0.279 CCOC(=O)CCNC(=O)[C@@H](C)O WXVL_AK0465SB1085 [0,2,0,0,0,0|2,0,0]=4 129 B12R0.279 CCOC(=O)CCNC(=O)[C@@H](C)O WXVL_AK0465SB1085 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 131 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 132 B10R1.15 CCC(=O)N1CCSCC1 WXVL_AN0896SB0064 [1,0,0,1,0,0|2,0,0]=4 133 B10R1.15 CNC(=O)C1CC=CCC1 WXVL_AK00442SB3640 [1,0,0,1,0,0|1,0,0]=3 134 B10R1.15 CNC(=O)C1CC=CCC1 WXVL_AK00442SB3640 [1,0,0,1,0,0|1,0,0]=3 135 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|1,0,1]=4 136 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,1]=4 137 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,1]=4 138 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 139 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 140 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,1]=4 141 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,1]=4 142 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0064 [0,1,0,1,0,0|2,0,0]=4 143 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 WXVL_AK00538SB0064 [0,1,0,1,0,0|2,0,0]=4 144 B12R1.24 CCC(=O)N1CCNC(=O)[C@@H]1C WXVL_AN5008SB0064 [0,1,0,1,0,0|2,0,0]=4 145 B12R1.1658 CCC(=O)N1CCNC(=O)CC1 WXVL_AN00585SB0064 [0,1,0,1,0,0|2,0,0]=4 146 B12R1.16 CCNC(=O)C1CCC(=O)NC1 WXVL_AK00476SB0208 [0,1,0,1,0,0|2,0,0]=4 147 B12R1.16 CCNC(=O)C1CCC(=O)NC1 WXVL_AK00476SB0208 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.1596 CNC(=O)C1CC2C=CC1C2 WXVL_AK00442SB2411 [0,0,0,2,0,0|2,0,0]=4 149 B12R2.1596 CNC(=O)C1CC2C=CC1C2 WXVL_AK00442SB2411 [0,0,0,2,0,0|2,0,0]=4