0 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,0,0,0,0,0|2,0,1]=4 7 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [1,0,0,0,0,0|3,0,0]=4 11 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [1,0,0,0,0,0|3,0,0]=4 12 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,0,0,0,0,0|3,0,0]=4 13 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [1,0,0,0,0,0|3,0,0]=4 14 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [1,0,0,0,0,0|1,0,2]=4 15 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [1,0,0,0,0,0|1,0,2]=4 16 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,0,0,0,0,0|1,0,0]=2 17 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [1,0,0,0,0,0|1,0,0]=2 18 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,0,0,0,0,0|2,0,0]=3 19 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [1,0,0,0,0,0|2,0,0]=3 20 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,0,0,0,0,0|3,0,0]=4 21 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [1,0,0,0,0,0|3,0,0]=4 22 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,0,0,0,0,0|3,0,0]=4 23 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,0,0,0,0,0|2,0,0]=3 25 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [1,0,0,0,0,0|1,0,2]=4 27 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [1,0,0,0,0,0|1,0,2]=4 28 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,0,0,0,0,0|1,0,2]=4 29 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,0,0,0,0,0|1,0,2]=4 30 B13R0.89 CCC[C@H](C)NC(=O)CC(=O)OCC WXVL_AK00682SB3094 [0,1,0,0,0,0|1,0,2]=4 31 B13R0.89 CCC[C@H](C)NC(=O)CC(=O)OCC WXVL_AK00682SB3094 [0,1,0,0,0,0|1,0,2]=4 32 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,1,0,0,0,0|0,0,2]=3 33 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,1,0,0,0,0|0,0,2]=3 34 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,1,0,0,0,0|1,0,2]=4 35 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,1,0,0,0,0|1,0,2]=4 36 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,1,0,0,0,0|1,0,2]=4 37 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,1,0,0,0,0|1,0,2]=4 38 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,1,0,0,0,0|1,0,2]=4 39 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,1,0,0,0,0|1,0,2]=4 40 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,1,0,0,0,0|1,0,2]=4 41 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,1,0,0,0,0|1,0,2]=4 42 B13R0.331 CCCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0073 [0,1,0,0,0,0|3,0,0]=4 43 B13R0.331 CCCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0073 [0,1,0,0,0,0|3,0,0]=4 44 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB3094 [0,1,0,0,0,0|1,0,2]=4 45 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB3094 [0,1,0,0,0,0|1,0,2]=4 46 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC WXVL_AK00588HU0462 [0,1,0,0,0,0|2,0,1]=4 47 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC WXVL_AK00588HU0462 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB3094 [0,0,0,1,0,0|1,0,2]=4 49 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB3094 [0,0,0,1,0,0|1,0,2]=4 50 B13R1.2570 CCCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0073 [0,0,0,1,0,0|3,0,0]=4 51 B13R1.2570 CCCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0073 [0,0,0,1,0,0|3,0,0]=4 52 B13R1.4453 CCCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0073 [0,0,0,1,0,0|3,0,0]=4 53 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,0,0,0,1,0|2,0,0]=3 54 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,0,0,0,1,0|2,0,0]=3 55 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,0,0,0,1,0|1,0,2]=4 56 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,0,0,0,1,0|1,0,2]=4 57 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,0,0,0,0,1|1,0,2]=4 58 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,0,0,0,0,1|1,0,2]=4 59 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 60 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [2,0,0,0,0,0|2,0,0]=4 62 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [2,0,0,0,0,0|2,0,0]=4 63 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [2,0,0,0,0,0|2,0,0]=4 67 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [2,0,0,0,0,0|1,0,0]=3 68 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [2,0,0,0,0,0|1,0,0]=3 69 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [2,0,0,0,0,0|1,0,0]=3 70 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [2,0,0,0,0,0|1,0,0]=3 71 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [2,0,0,0,0,0|2,0,0]=4 72 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [2,0,0,0,0,0|2,0,0]=4 75 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [2,0,0,0,0,0|2,0,0]=4 76 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [2,0,0,0,0,0|2,0,0]=4 77 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [1,1,0,0,0,0|2,0,0]=4 78 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [1,1,0,0,0,0|2,0,0]=4 79 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,1,0,0,0,0|1,0,0]=3 80 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [1,1,0,0,0,0|1,0,0]=3 81 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [1,1,0,0,0,0|2,0,0]=4 82 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [1,1,0,0,0,0|2,0,0]=4 83 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [1,1,0,0,0,0|1,0,0]=3 84 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [1,1,0,0,0,0|1,0,0]=3 85 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,1,0,0,0,0|1,0,0]=3 86 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [1,1,0,0,0,0|1,0,0]=3 87 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [1,1,0,0,0,0|2,0,0]=4 88 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [1,1,0,0,0,0|2,0,0]=4 89 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [1,1,0,0,0,0|1,0,0]=3 90 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [1,1,0,0,0,0|1,0,0]=3 91 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [1,1,0,0,0,0|2,0,0]=4 92 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [1,1,0,0,0,0|2,0,0]=4 93 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [1,1,0,0,0,0|2,0,0]=4 94 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [1,1,0,0,0,0|2,0,0]=4 95 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [1,1,0,0,0,0|2,0,0]=4 96 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [1,1,0,0,0,0|2,0,0]=4 97 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [1,1,0,0,0,0|2,0,0]=4 98 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [1,1,0,0,0,0|2,0,0]=4 99 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [1,1,0,0,0,0|2,0,0]=4 100 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [1,1,0,0,0,0|2,0,0]=4 101 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [1,1,0,0,0,0|2,0,0]=4 102 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [1,1,0,0,0,0|2,0,0]=4 103 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [1,1,0,0,0,0|1,0,0]=3 104 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [1,1,0,0,0,0|1,0,0]=3 105 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [1,1,0,0,0,0|1,0,1]=4 106 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [1,1,0,0,0,0|1,0,1]=4 107 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [1,1,0,0,0,0|1,0,1]=4 108 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [1,1,0,0,0,0|1,0,1]=4 109 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [1,1,0,0,0,0|1,0,1]=4 110 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [1,1,0,0,0,0|1,0,1]=4 111 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [1,1,0,0,0,0|1,0,0]=3 112 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [1,1,0,0,0,0|1,0,0]=3 113 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [1,1,0,0,0,0|1,0,0]=3 114 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [1,1,0,0,0,0|1,0,0]=3 115 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [1,1,0,0,0,0|2,0,0]=4 116 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [1,1,0,0,0,0|2,0,0]=4 117 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [1,1,0,0,0,0|2,0,0]=4 118 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [1,1,0,0,0,0|2,0,0]=4 119 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [1,1,0,0,0,0|1,0,0]=3 120 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [1,1,0,0,0,0|1,0,0]=3 121 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [1,1,0,0,0,0|1,1,0]=4 122 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [1,1,0,0,0,0|1,1,0]=4 123 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [1,1,0,0,0,0|2,0,0]=4 124 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [1,1,0,0,0,0|2,0,0]=4 125 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [1,1,0,0,0,0|2,0,0]=4 126 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [1,1,0,0,0,0|2,0,0]=4 127 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [1,1,0,0,0,0|2,0,0]=4 128 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [1,1,0,0,0,0|2,0,0]=4 129 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [1,1,0,0,0,0|2,0,0]=4 130 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [1,1,0,0,0,0|2,0,0]=4 131 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [1,1,0,0,0,0|2,0,0]=4 132 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [1,1,0,0,0,0|2,0,0]=4 133 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [1,1,0,0,0,0|1,0,1]=4 134 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [1,1,0,0,0,0|1,0,1]=4 135 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [1,1,0,0,0,0|2,0,0]=4 136 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [1,1,0,0,0,0|2,0,0]=4 137 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [1,1,0,0,0,0|0,0,2]=4 138 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [1,1,0,0,0,0|0,0,2]=4 139 B12R0.240 CCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0064 [1,1,0,0,0,0|2,0,0]=4 140 B12R0.240 CCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0064 [1,1,0,0,0,0|2,0,0]=4 141 B12R0.141 CCCCCC(C)C(=O)NC(C)C WXVL_AK0030SB0394 [0,1,0,0,1,0|2,0,0]=4 142 B12R0.141 CCCCCC(C)C(=O)NC(C)C WXVL_AK0030SB0394 [0,1,0,0,1,0|2,0,0]=4 143 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,1,0,0,0,1|0,0,2]=4 144 B14R0.199 CCCCCNC(=O)NCC(=O)OCC WXVL_AK0076YV0151 [0,1,0,0,0,1|0,0,2]=4 145 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0091 [0,2,0,0,0,0|2,0,0]=4 146 B14R0.74 CCOCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0091 [0,2,0,0,0,0|2,0,0]=4 147 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,2,0,0,0,0|1,0,0]=3 148 B14R0.73 CCCCCCCC(O)CC(=O)NCC WXVL_AK00476SB4065 [0,2,0,0,0,0|1,0,0]=3 149 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,2,0,0,0,0|0,0,2]=4 150 B14R0.73 CCCCCCNC(=O)CC(=O)OCC WXVL_AK0286SB3094 [0,2,0,0,0,0|0,0,2]=4 151 B14R0.73 CCOC(=O)CC(=O)NCCCCCO WXVL_AK0077SB3094 [0,2,0,0,0,0|0,0,2]=4 152 B14R0.73 CCOC(=O)CC(=O)NCCCCCO WXVL_AK0077SB3094 [0,2,0,0,0,0|0,0,2]=4 153 B14R0.73 CCOCCCNC(=O)CC(=O)OCC WXVL_AK0072SB3094 [0,2,0,0,0,0|0,0,2]=4 154 B14R0.73 CCOCCCNC(=O)CC(=O)OCC WXVL_AK0072SB3094 [0,2,0,0,0,0|0,0,2]=4 155 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK0076HU0462 [0,2,0,0,0,0|1,0,1]=4 156 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC WXVL_AK0076HU0462 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [1,0,0,1,0,0|2,0,0]=4 158 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [1,0,0,1,0,0|2,0,0]=4 159 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [1,0,0,1,0,0|2,0,0]=4 160 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [1,0,0,1,0,0|2,0,0]=4 161 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [1,0,0,1,0,0|2,0,0]=4 162 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [1,0,0,1,0,0|2,0,0]=4 163 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [1,0,0,1,0,0|2,0,0]=4 164 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [1,0,0,1,0,0|2,0,0]=4 165 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [1,0,0,1,0,0|2,0,0]=4 166 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [1,0,0,1,0,0|2,0,0]=4 167 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [1,0,0,1,0,0|1,0,0]=3 168 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [1,0,0,1,0,0|1,0,0]=3 169 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [1,0,0,1,0,0|2,0,0]=4 170 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [1,0,0,1,0,0|2,0,0]=4 171 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [1,0,0,1,0,0|2,0,0]=4 172 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [1,0,0,1,0,0|2,0,0]=4 173 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [1,0,0,1,0,0|2,0,0]=4 174 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [1,0,0,1,0,0|2,0,0]=4 175 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [1,0,0,1,0,0|2,0,0]=4 176 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [1,0,0,1,0,0|2,0,0]=4 177 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [1,0,0,1,0,0|2,0,0]=4 178 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [1,0,0,1,0,0|2,0,0]=4 179 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [1,0,0,1,0,0|2,0,0]=4 180 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [1,0,0,1,0,0|1,0,0]=3 181 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [1,0,0,1,0,0|1,0,0]=3 182 B12R1.3441 CCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0064 [1,0,0,1,0,0|2,0,0]=4 183 B12R1.3524 CCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0064 [1,0,0,1,0,0|2,0,0]=4 184 B12R1.3524 CCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0064 [1,0,0,1,0,0|2,0,0]=4 185 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,0,0,1,1,0|2,0,0]=4 186 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,0,0,1,1,0|2,0,0]=4 187 B12R1.1595 CCNC(=O)C1(CCCCC1)C WXVL_AK00476SB2476 [0,0,0,1,1,0|2,0,0]=4 188 B12R1.1595 CCNC(=O)C1(CCCCC1)C WXVL_AK00476SB2476 [0,0,0,1,1,0|2,0,0]=4 189 B12R1.1595 CCNC(=O)C1(CCOCC1)O WXVL_AK00476SBE859 [0,0,0,1,1,0|2,0,0]=4 190 B12R1.1595 CCNC(=O)C1(CCOCC1)O WXVL_AK00476SBE859 [0,0,0,1,1,0|2,0,0]=4 191 B14R1.18883 C/C=C/C(=O)NCC1(CCCCC1)O WXVL_AK00611SB0340 [0,0,0,1,0,1|1,0,1]=4 192 B14R1.18883 C/C=C/C(=O)NCC1(CCCCC1)O WXVL_AK00611SB0340 [0,0,0,1,0,1|1,0,1]=4 193 B14R1.18883 CC#CC(=O)NCC1(CCCCC1)O WXVL_AK00611SB1240 [0,0,0,1,0,1|1,0,1]=4 194 B14R1.18883 CC#CC(=O)NCC1(CCCCC1)O WXVL_AK00611SB1240 [0,0,0,1,0,1|1,0,1]=4 195 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0073 [0,0,0,1,0,1|1,0,0]=3 196 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0073 [0,0,0,1,0,1|1,0,0]=3 197 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O WXVL_AK00186SB0073 [0,0,0,1,0,1|2,0,0]=4 198 B14R1.18883 CCCC(=O)NCC1(CCOCC1)O WXVL_AK00186SB0073 [0,0,0,1,0,1|2,0,0]=4 199 B14R1.18883 COCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0090 [0,0,0,1,0,1|2,0,0]=4 200 B14R1.18883 COCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0090 [0,0,0,1,0,1|2,0,0]=4 201 B14R1.18883 CSCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB1267 [0,0,0,1,0,1|2,0,0]=4 202 B14R1.18883 CSCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB1267 [0,0,0,1,0,1|2,0,0]=4 203 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB3094 [0,1,0,1,0,0|0,0,2]=4 204 B14R1.8282 CCOCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0091 [0,1,0,1,0,0|2,0,0]=4 205 B14R1.8404 CCOCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0091 [0,1,0,1,0,0|2,0,0]=4 206 B14R1.8404 CCOCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0091 [0,1,0,1,0,0|2,0,0]=4 207 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 WXVL_AK00492SB3094 [0,1,0,1,0,0|0,0,2]=4 208 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 WXVL_AK00492SB3094 [0,1,0,1,0,0|0,0,2]=4 209 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 WXVL_AK00594SB3094 [0,1,0,1,0,0|0,0,2]=4 210 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 WXVL_AK00594SB3094 [0,1,0,1,0,0|0,0,2]=4 211 B14R2.2711 CCNC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK00476SB0403 [0,0,0,2,0,0|2,0,0]=4 212 B14R2.2711 CCNC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK00476SB0403 [0,0,0,2,0,0|2,0,0]=4 213 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,0,0,0,1,0|1,0,0]=3 214 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,0,0,0,1,0|1,0,0]=3 215 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,0,0,0,1,0|2,0,0]=4 216 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,0,0,0,1,0|2,0,0]=4