0 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [1,0,0,0,0,0|2,0,1]=4 22 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,0,0,0,0|3,0,0]=4 25 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [1,0,0,0,0,0|3,0,0]=4 26 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [1,0,0,0,0,0|3,0,0]=4 28 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,0,0,0,0|3,0,0]=4 29 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [1,0,0,0,0,0|3,0,0]=4 30 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,0,0,0,0|3,0,0]=4 31 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [1,0,0,0,0,0|3,0,0]=4 32 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|2,0,0]=3 33 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [1,0,0,0,0,0|2,0,0]=3 34 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|3,0,0]=4 37 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [1,0,0,0,0,0|3,0,0]=4 38 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,0]=2 45 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,0]=2 46 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,2]=4 47 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|1,0,1]=3 49 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|1,0,1]=3 50 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|2,0,1]=4 53 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|2,0,1]=4 54 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|2,0,1]=4 55 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|2,0,1]=4 56 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,2]=4 57 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,2]=4 58 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|2,0,1]=4 59 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|1,0,2]=4 61 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|1,0,2]=4 62 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|1,0,2]=4 63 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|1,0,2]=4 64 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,1,0,0,0,0|1,0,0]=2 66 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,1,0,0,0,0|1,0,2]=4 67 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,1,0,0,0,0|1,0,2]=4 68 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,0,0,0,0|2,0,1]=4 69 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,1,0,0,0,0|2,0,1]=4 70 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,0,0,0,0|2,0,1]=4 71 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,1,0,0,0,0|2,0,1]=4 72 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,1]=4 73 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,1]=4 74 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,0,0,0,0|2,0,1]=4 75 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,1,0,0,0,0|2,0,1]=4 76 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,0,0,0,0|2,0,1]=4 77 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,1,0,0,0,0|2,0,1]=4 78 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,0,0,0,0|2,0,1]=4 79 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,1,0,0,0,0|2,0,1]=4 80 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,0|1,0,2]=4 81 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,1,0,0,0,0|1,0,2]=4 82 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,1,0,0,0,0|1,0,1]=3 83 B12R0.101 CCCNC(=O)/C=C/C(=O)OCC WXVL_AK00504SB0061 [0,1,0,0,0,0|1,0,1]=3 84 B12R0.101 CCOC(=O)/C=C/C(=O)NCCF WXVL_AK00466SB0061 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.101 CCOC(=O)/C=C/C(=O)NCCF WXVL_AK00466SB0061 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.114 C#CCCCNC(=O)C(=O)OCC WXVL_AK00218SB4144 [0,1,0,0,0,0|1,0,2]=4 87 B12R0.114 C#CCCCNC(=O)C(=O)OCC WXVL_AK00218SB4144 [0,1,0,0,0,0|1,0,2]=4 88 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,1,0,0,0,0|3,0,0]=4 89 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,1,0,0,0,0|3,0,0]=4 90 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,1,0,0,0,0|1,0,0]=2 91 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,1,0,0,0,0|1,0,0]=2 92 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,1,0,0,0,0|2,0,0]=3 93 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,1,0,0,0,0|2,0,0]=3 94 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,1,0,0,0,0|2,0,0]=3 95 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,1,0,0,0,0|2,0,0]=3 96 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,1,0,0,0,0|2,0,0]=3 97 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,1,0,0,0,0|2,0,0]=3 98 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,1,0,0,0,0|2,0,0]=3 99 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,1,0,0,0,0|2,0,0]=3 100 B12R0.206 C=CCNC(=O)/C=C/CCCCC WXVL_AK00561SB3331 [0,1,0,0,0,0|1,0,1]=3 101 B12R0.206 C=CCNC(=O)/C=C/CCCCC WXVL_AK00561SB3331 [0,1,0,0,0,0|1,0,1]=3 102 B12R0.206 CCCCC/C=C/C(=O)NCC#N WXVL_AK0683SB3331 [0,1,0,0,0,0|1,0,1]=3 103 B12R0.206 CCCCC/C=C/C(=O)NCC#N WXVL_AK0683SB3331 [0,1,0,0,0,0|1,0,1]=3 104 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,1,0,0,0,0|1,0,0]=2 105 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,1,0,0,0,0|1,0,0]=2 106 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,1,0,0,0,0|1,0,0]=2 107 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,1,0,0,0,0|1,0,0]=2 108 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,2]=4 109 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,1,0,0,0,0|1,0,2]=4 110 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|1,0,2]=4 111 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|2,0,1]=4 113 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,1,0,0,0,0|2,0,1]=4 114 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|2,0,1]=4 115 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,0,0,0,0|1,0,1]=3 117 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,1,0,0,0,0|1,0,1]=3 118 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,0,0,0,0|1,1,1]=4 119 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,1,0,0,0,0|1,1,1]=4 120 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,1]=4 121 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,1,0,0,0,0|2,0,1]=4 122 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,0,0,0,0|2,0,1]=4 123 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,1,0,0,0,0|2,0,1]=4 124 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,1,0,0,0,0|2,0,1]=4 125 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,1,0,0,0,0|2,0,1]=4 126 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,1,0,0,0,0|1,0,1]=3 127 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,1,0,0,0,0|1,0,1]=3 128 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,1,0,0,0,0|2,0,1]=4 129 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,1,0,0,0,0|2,0,1]=4 130 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,1,0,0,0,0|2,0,1]=4 131 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,0,1,0,0|2,0,1]=4 133 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,0,0,1,0,0|2,0,1]=4 134 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,0,0,1,0,0|2,0,1]=4 135 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,0,0,1,0,0|2,0,1]=4 136 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,0|2,0,1]=4 137 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,0,0,1,0,0|2,0,1]=4 138 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,1,0,0|1,0,0]=2 139 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,0,0,1,0,0|1,0,0]=2 140 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,0|1,0,2]=4 141 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,0,0,1,0,0|1,0,2]=4 142 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,0|2,0,1]=4 143 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,0,0,1,0,0|2,0,1]=4 144 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,0,0,1,0,0|2,0,1]=4 145 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,0,1,0,0|2,0,1]=4 146 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,0,0,1,0,0|2,0,1]=4 147 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,0,1,0,0|2,0,1]=4 148 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,0,0,1,0,0|2,0,1]=4 149 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,0,0,1,0,0|1,0,2]=4 150 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,0,0,1,0,0|1,0,2]=4 151 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|2,0,0]=4 152 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|2,0,0]=4 153 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [2,0,0,0,0,0|2,0,0]=4 154 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [2,0,0,0,0,0|2,0,0]=4 155 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 156 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 157 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 158 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 159 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [2,0,0,0,0,0|2,0,0]=4 161 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [2,0,0,0,0,0|2,0,0]=4 162 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [2,0,0,0,0,0|2,0,0]=4 163 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [2,0,0,0,0,0|2,0,0]=4 164 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [2,0,0,0,0,0|2,0,0]=4 165 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,0]=3 166 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|1,0,0]=3 167 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 168 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [2,0,0,0,0,0|2,0,0]=4 170 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [2,0,0,0,0,0|1,0,0]=3 172 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [2,0,0,0,0,0|1,0,0]=3 173 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,1]=4 174 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,1]=4 175 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [1,1,0,0,0,0|2,0,0]=4 176 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [1,1,0,0,0,0|2,0,0]=4 177 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [1,1,0,0,0,0|2,0,0]=4 178 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [1,1,0,0,0,0|2,0,0]=4 179 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [1,1,0,0,0,0|1,0,1]=4 180 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [1,1,0,0,0,0|1,0,1]=4 181 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [1,1,0,0,0,0|1,0,1]=4 182 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [1,1,0,0,0,0|1,0,1]=4 183 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,1,0,0,0,0|2,0,0]=4 184 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [1,1,0,0,0,0|2,0,0]=4 185 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,1,0,0,0,0|2,0,0]=4 186 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [1,1,0,0,0,0|2,0,0]=4 187 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,1,0,0,0,0|1,0,0]=3 188 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [1,1,0,0,0,0|1,0,0]=3 189 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,1,0,0,0,0|1,1,0]=4 190 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [1,1,0,0,0,0|1,1,0]=4 191 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [1,1,0,0,0,0|2,0,0]=4 192 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [1,1,0,0,0,0|2,0,0]=4 193 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [1,1,0,0,0,0|2,0,0]=4 194 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [1,1,0,0,0,0|2,0,0]=4 195 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,1,0,0,0,0|2,0,0]=4 196 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [1,1,0,0,0,0|2,0,0]=4 197 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,1,0,0,0,0|2,0,0]=4 198 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [1,1,0,0,0,0|2,0,0]=4 199 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [1,1,0,0,0,0|2,0,0]=4 200 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [1,1,0,0,0,0|2,0,0]=4 201 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [1,1,0,0,0,0|2,0,0]=4 202 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [1,1,0,0,0,0|2,0,0]=4 203 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [1,1,0,0,0,0|2,0,0]=4 204 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [1,1,0,0,0,0|2,0,0]=4 205 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [1,1,0,0,0,0|2,0,0]=4 206 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [1,1,0,0,0,0|2,0,0]=4 207 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [1,1,0,0,0,0|2,0,0]=4 208 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [1,1,0,0,0,0|2,0,0]=4 209 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,1]=4 210 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [1,1,0,0,0,0|1,0,1]=4 211 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [1,1,0,0,0,0|1,0,0]=3 212 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [1,1,0,0,0,0|1,0,0]=3 213 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [1,1,0,0,0,0|2,0,0]=4 214 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [1,1,0,0,0,0|2,0,0]=4 215 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [1,1,0,0,0,0|2,0,0]=4 216 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [1,1,0,0,0,0|2,0,0]=4 217 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [1,1,0,0,0,0|1,0,0]=3 218 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [1,1,0,0,0,0|1,0,0]=3 219 B11R0.140 CCO/C=C/C(=O)NCCCO WXVL_AK0073SB3226 [1,1,0,0,0,0|2,0,0]=4 220 B11R0.140 CCO/C=C/C(=O)NCCCO WXVL_AK0073SB3226 [1,1,0,0,0,0|2,0,0]=4 221 B11R0.140 CCO/C=C/C(=O)NCCSC WXVL_AK00440SB3226 [1,1,0,0,0,0|2,0,0]=4 222 B11R0.140 CCO/C=C/C(=O)NCCSC WXVL_AK00440SB3226 [1,1,0,0,0,0|2,0,0]=4 223 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [1,1,0,0,0,0|1,0,0]=3 224 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [1,1,0,0,0,0|1,0,0]=3 225 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [1,1,0,0,0,0|1,0,1]=4 226 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [1,1,0,0,0,0|1,0,1]=4 227 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [1,1,0,0,0,0|1,0,1]=4 228 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [1,1,0,0,0,0|1,0,1]=4 229 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [1,1,0,0,0,0|1,0,1]=4 230 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [1,1,0,0,0,0|1,0,1]=4 231 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,1,0,0,0,0|1,0,1]=4 232 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,1,0,0,0,0|1,0,1]=4 233 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|1,0,1]=4 234 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|1,0,1]=4 235 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|1,0,1]=4 236 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|1,0,1]=4 237 B13R0.193 CCCCNC(=O)/C=C/C(=O)OCC WXVL_AK00588SB0061 [0,2,0,0,0,0|0,0,1]=3 238 B13R0.193 CCCCNC(=O)/C=C/C(=O)OCC WXVL_AK00588SB0061 [0,2,0,0,0,0|0,0,1]=3 239 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,2,0,0,0,0|1,0,1]=4 240 B13R0.193 CCCCNC(=O)NCC(=O)OCC WXVL_AK00588YV0151 [0,2,0,0,0,0|1,0,1]=4 241 B13R0.193 CCOC(=O)/C=C/C(=O)NCCCO WXVL_AK0073SB0061 [0,2,0,0,0,0|1,0,1]=4 242 B13R0.193 CCOC(=O)/C=C/C(=O)NCCCO WXVL_AK0073SB0061 [0,2,0,0,0,0|1,0,1]=4 243 B13R0.193 CCOC(=O)/C=C/C(=O)NCCSC WXVL_AK00440SB0061 [0,2,0,0,0,0|1,0,1]=4 244 B13R0.193 CCOC(=O)/C=C/C(=O)NCCSC WXVL_AK00440SB0061 [0,2,0,0,0,0|1,0,1]=4 245 B13R0.275 C#CCCCCNC(=O)C(=O)OCC WXVL_AK00614SB4144 [0,2,0,0,0,0|1,0,1]=4 246 B13R0.275 C#CCCCCNC(=O)C(=O)OCC WXVL_AK00614SB4144 [0,2,0,0,0,0|1,0,1]=4 247 B13R0.275 CCCCC/C=C/C(=O)N(C)CC#N WXVL_AN2942SB3331 [0,2,0,0,0,0|1,0,1]=4 248 B13R0.275 CCCCC/C=C/C(=O)N(C)CC#N WXVL_AN2942SB3331 [0,2,0,0,0,0|1,0,1]=4 249 B13R0.275 CCCCC/C=C/C(=O)N(C)CCO WXVL_AN2670SB3331 [0,2,0,0,0,0|1,0,0]=3 250 B13R0.275 CCCCC/C=C/C(=O)N(C)CCO WXVL_AN2670SB3331 [0,2,0,0,0,0|1,0,0]=3 251 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|0,0,1]=3 252 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|0,0,1]=3 253 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,2,0,0,0,0|1,0,0]=3 254 B13R0.275 CCOC(=O)C(=O)NCCCCCO WXVL_AK0077SB4144 [0,2,0,0,0,0|1,0,0]=3 255 B13R0.275 CCOC(=O)C(=O)NCCNCCO WXVL_AK0954SB4144 [0,2,0,0,0,0|2,0,0]=4 256 B13R0.275 CCOC(=O)C(=O)NCCNCCO WXVL_AK0954SB4144 [0,2,0,0,0,0|2,0,0]=4 257 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,2,0,0,0,0|1,0,0]=3 258 B13R0.275 CCOCCCNC(=O)C(=O)OCC WXVL_AK0072SB4144 [0,2,0,0,0,0|1,0,0]=3 259 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,2,0,0,0,0|0,0,1]=3 260 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,2,0,0,0,0|0,0,1]=3 261 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,2,0,0,0,0|1,0,1]=4 262 B13R0.330 CCOC(=O)CC(=O)NCCCCO WXVL_AK0075SB3094 [0,2,0,0,0,0|1,0,1]=4 263 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,2,0,0,0,0|1,0,1]=4 264 B13R0.330 CCOC(=O)CC(=O)NCCCOC WXVL_AK00637SB3094 [0,2,0,0,0,0|1,0,1]=4 265 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,2,0,0,0,0|1,0,1]=4 266 B13R0.330 CCOC(=O)CC(=O)NCCCSC WXVL_AK0965SB3094 [0,2,0,0,0,0|1,0,1]=4 267 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,2,0,0,0,0|1,0,1]=4 268 B13R0.330 CCOC(=O)CC(=O)NCCSCC WXVL_AK00494SB3094 [0,2,0,0,0,0|1,0,1]=4 269 B13R0.274 C#C[C@@H](C)NC(=O)/C=C/CCCCC WXVL_AK00735SB3331 [0,2,0,0,0,0|1,0,0]=3 270 B13R0.274 C#C[C@@H](C)NC(=O)/C=C/CCCCC WXVL_AK00735SB3331 [0,2,0,0,0,0|1,0,0]=3 271 B13R0.274 C=CC(C)NC(=O)/C=C/CCCCC WXVL_AK00769SB3331 [0,2,0,0,0,0|1,0,0]=3 272 B13R0.274 C=CC(C)NC(=O)/C=C/CCCCC WXVL_AK00769SB3331 [0,2,0,0,0,0|1,0,0]=3 273 B13R0.274 CCCCC/C=C/C(=O)NC(C)C#N WXVL_AK00810SB3331 [0,2,0,0,0,0|1,0,0]=3 274 B13R0.274 CCCCC/C=C/C(=O)NC(C)C#N WXVL_AK00810SB3331 [0,2,0,0,0,0|1,0,0]=3 275 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB3331 [0,2,0,0,0,0|1,0,0]=3 276 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB3331 [0,2,0,0,0,0|1,0,0]=3 277 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CF WXVL_AK00558SB3331 [0,2,0,0,0,0|1,0,0]=3 278 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CF WXVL_AK00558SB3331 [0,2,0,0,0,0|1,0,0]=3 279 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CO WXVL_AK0109SB3331 [0,2,0,0,0,0|1,0,0]=3 280 B13R0.274 CCCCC/C=C/C(=O)N[C@@H](C)CO WXVL_AK0109SB3331 [0,2,0,0,0,0|1,0,0]=3 281 B13R0.286 CCCCC/C=C/C(=O)NC(C)(C)C WXVL_AK0024SB3331 [0,2,0,0,0,0|1,0,0]=3 282 B13R0.286 CCCCC/C=C/C(=O)NC(C)(C)C WXVL_AK0024SB3331 [0,2,0,0,0,0|1,0,0]=3 283 B13R0.337 CCCCC/C=C/C(=O)N(C)C(C)C WXVL_AN0073SB3331 [0,2,0,0,0,0|1,0,0]=3 284 B13R0.337 CCCCC/C=C/C(=O)N(C)C(C)C WXVL_AN0073SB3331 [0,2,0,0,0,0|1,0,0]=3 285 B13R0.277 CCCCC/C=C/C(=O)N(CC)CC WXVL_AN0042SB3331 [0,2,0,0,0,0|1,0,0]=3 286 B13R0.277 CCCCC/C=C/C(=O)N(CC)CC WXVL_AN0042SB3331 [0,2,0,0,0,0|1,0,0]=3 287 B13R0.17 CCOC(=O)/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0061 [0,2,0,0,0,0|1,0,1]=4 288 B13R0.17 CCOC(=O)/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB0061 [0,2,0,0,0,0|1,0,1]=4 289 B13R0.95 CCOC(=O)/C=C/C(=O)NCC(C)C WXVL_AK00544SB0061 [0,2,0,0,0,0|1,0,1]=4 290 B13R0.95 CCOC(=O)/C=C/C(=O)NCC(C)C WXVL_AK00544SB0061 [0,2,0,0,0,0|1,0,1]=4 291 B13R0.95 CCOC(=O)/C=C/C(=O)NCC(C)O WXVL_AK0052SB0061 [0,2,0,0,0,0|1,0,1]=4 292 B13R0.95 CCOC(=O)/C=C/C(=O)NCC(C)O WXVL_AK0052SB0061 [0,2,0,0,0,0|1,0,1]=4 293 B13R0.95 CCOC(=O)/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0061 [0,2,0,0,0,0|1,0,1]=4 294 B13R0.95 CCOC(=O)/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB0061 [0,2,0,0,0,0|1,0,1]=4 295 B13R0.261 CCOC(=O)C(=O)NCCOC(C)C WXVL_AK0128SB4144 [0,2,0,0,0,0|2,0,0]=4 296 B13R0.261 CCOC(=O)C(=O)NCCOC(C)C WXVL_AK0128SB4144 [0,2,0,0,0,0|2,0,0]=4 297 B13R0.267 CCOC(=O)C(=O)NCCC(C)CO WXVL_AK4143SB4144 [0,2,0,0,0,0|2,0,0]=4 298 B13R0.267 CCOC(=O)C(=O)NCCC(C)CO WXVL_AK4143SB4144 [0,2,0,0,0,0|2,0,0]=4 299 B13R0.154 C=C(C)CNC(=O)/C=C/CCCCC WXVL_AK0761SB3331 [0,2,0,0,0,0|1,0,0]=3 300 B13R0.154 C=C(C)CNC(=O)/C=C/CCCCC WXVL_AK0761SB3331 [0,2,0,0,0,0|1,0,0]=3 301 B13R0.154 CCCCC/C=C/C(=O)NCC(=O)N WXVL_AK0147SB3331 [0,2,0,0,0,0|1,0,1]=4 302 B13R0.154 CCCCC/C=C/C(=O)NCC(=O)N WXVL_AK0147SB3331 [0,2,0,0,0,0|1,0,1]=4 303 B13R0.154 CCCCC/C=C/C(=O)NCC(C)C WXVL_AK00544SB3331 [0,2,0,0,0,0|1,0,0]=3 304 B13R0.154 CCCCC/C=C/C(=O)NCC(C)C WXVL_AK00544SB3331 [0,2,0,0,0,0|1,0,0]=3 305 B13R0.154 CCCCC/C=C/C(=O)NCC(C)O WXVL_AK0052SB3331 [0,2,0,0,0,0|1,0,0]=3 306 B13R0.154 CCCCC/C=C/C(=O)NCC(C)O WXVL_AK0052SB3331 [0,2,0,0,0,0|1,0,0]=3 307 B13R0.154 CCCCC/C=C/C(=O)NCC(F)F WXVL_AK0136SB3331 [0,2,0,0,0,0|1,0,0]=3 308 B13R0.154 CCCCC/C=C/C(=O)NCC(F)F WXVL_AK0136SB3331 [0,2,0,0,0,0|1,0,0]=3 309 B13R0.154 CCCCC/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB3331 [0,2,0,0,0,0|1,0,0]=3 310 B13R0.154 CCCCC/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB3331 [0,2,0,0,0,0|1,0,0]=3 311 B13R0.154 CCCCCCNC(=O)COC(C)C WXVL_AK0286SB0213 [0,2,0,0,0,0|1,0,1]=4 312 B13R0.154 CCCCCCNC(=O)COC(C)C WXVL_AK0286SB0213 [0,2,0,0,0,0|1,0,1]=4 313 B13R0.338 C#CCCNC(=O)/C=C/CCCCC WXVL_AK3109SB3331 [0,2,0,0,0,0|1,0,0]=3 314 B13R0.338 C#CCCNC(=O)/C=C/CCCCC WXVL_AK3109SB3331 [0,2,0,0,0,0|1,0,0]=3 315 B13R0.338 C=CCCNC(=O)/C=C/CCCCC WXVL_AK00138SB3331 [0,2,0,0,0,0|1,0,0]=3 316 B13R0.338 C=CCCNC(=O)/C=C/CCCCC WXVL_AK00138SB3331 [0,2,0,0,0,0|1,0,0]=3 317 B13R0.338 CCCCC/C=C/C(=O)NCCC#N WXVL_AK0087SB3331 [0,2,0,0,0,0|1,0,0]=3 318 B13R0.338 CCCCC/C=C/C(=O)NCCC#N WXVL_AK0087SB3331 [0,2,0,0,0,0|1,0,0]=3 319 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,2,0,0,0,0|1,0,0]=3 320 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,2,0,0,0,0|1,0,0]=3 321 B13R0.338 CCCCC/C=C/C(=O)NCCCO WXVL_AK0073SB3331 [0,2,0,0,0,0|1,0,0]=3 322 B13R0.338 CCCCC/C=C/C(=O)NCCCO WXVL_AK0073SB3331 [0,2,0,0,0,0|1,0,0]=3 323 B13R0.338 CCCCC/C=C/C(=O)NCCSC WXVL_AK00440SB3331 [0,2,0,0,0,0|1,0,0]=3 324 B13R0.338 CCCCC/C=C/C(=O)NCCSC WXVL_AK00440SB3331 [0,2,0,0,0,0|1,0,0]=3 325 B13R0.338 CCCCCCNC(=O)/C=C/OCC WXVL_AK0286SB3226 [0,2,0,0,0,0|1,0,1]=4 326 B13R0.338 CCCCCCNC(=O)/C=C/OCC WXVL_AK0286SB3226 [0,2,0,0,0,0|1,0,1]=4 327 B13R0.89 CCC[C@H](C)NC(=O)CC(=O)OCC WXVL_AK00682SB3094 [0,2,0,0,0,0|1,0,1]=4 328 B13R0.89 CCC[C@H](C)NC(=O)CC(=O)OCC WXVL_AK00682SB3094 [0,2,0,0,0,0|1,0,1]=4 329 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB3094 [0,2,0,0,0,0|1,0,1]=4 330 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C WXVL_AK0068SB3094 [0,2,0,0,0,0|1,0,1]=4 331 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [1,0,0,1,0,0|2,0,0]=4 332 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [1,0,0,1,0,0|2,0,0]=4 333 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [1,0,0,1,0,0|2,0,0]=4 334 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [1,0,0,1,0,0|2,0,0]=4 335 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,1]=4 336 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [1,0,0,1,0,0|1,0,1]=4 337 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,1]=4 338 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [1,0,0,1,0,0|1,0,1]=4 339 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [1,0,0,1,0,0|2,0,0]=4 340 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,1]=4 341 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [1,0,0,1,0,0|1,0,1]=4 342 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [1,0,0,1,0,0|2,0,0]=4 343 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [1,0,0,1,0,0|2,0,0]=4 344 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,1]=4 345 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [1,0,0,1,0,0|1,0,1]=4 346 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [1,0,0,1,0,0|2,0,0]=4 347 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [1,0,0,1,0,0|2,0,0]=4 348 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [1,0,0,1,0,0|2,0,0]=4 349 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [1,0,0,1,0,0|2,0,0]=4 350 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|1,0,1]=4 351 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|1,0,1]=4 352 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [1,0,0,1,0,0|1,0,0]=3 353 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [1,0,0,1,0,0|1,0,0]=3 354 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|1,0,1]=4 355 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|1,0,1]=4 356 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [1,0,0,1,0,0|1,0,1]=4 357 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|1,0,1]=4 358 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|1,0,1]=4 359 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,1,0,1,0,0|1,0,0]=3 360 B13R1.42 CCNC(=O)/C=C/C1CCCCC1 WXVL_AK00476SB5384 [0,1,0,1,0,0|1,0,0]=3 361 B13R1.593 CC(C)NC(=O)/C=C/C1CCCC1 WXVL_AK0030SB5314 [0,1,0,1,0,0|1,0,0]=3 362 B13R1.593 CC(C)NC(=O)/C=C/C1CCCC1 WXVL_AK0030SB5314 [0,1,0,1,0,0|1,0,0]=3 363 B13R1.3574 CCCCC/C=C/C(=O)NC1CC1 WXVL_AK0001SB3331 [0,1,0,1,0,0|1,0,0]=3 364 B13R1.3574 CCCCC/C=C/C(=O)NC1CC1 WXVL_AK0001SB3331 [0,1,0,1,0,0|1,0,0]=3 365 B13R1.153 C=CCNC(=O)/C=C/C1CCCC1 WXVL_AK00561SB5314 [0,1,0,1,0,0|1,0,1]=4 366 B13R1.153 C=CCNC(=O)/C=C/C1CCCC1 WXVL_AK00561SB5314 [0,1,0,1,0,0|1,0,1]=4 367 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 WXVL_AK00504SB5314 [0,1,0,1,0,0|1,0,0]=3 368 B13R1.153 CCCNC(=O)/C=C/C1CCCC1 WXVL_AK00504SB5314 [0,1,0,1,0,0|1,0,0]=3 369 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,1,0,0|1,0,1]=4 370 B13R1.153 CCOCC(=O)NCC1CCCC1 WXVL_AK0303SB0091 [0,1,0,1,0,0|1,0,1]=4 371 B13R1.153 N#CCNC(=O)/C=C/C1CCCC1 WXVL_AK0683SB5314 [0,1,0,1,0,0|1,0,1]=4 372 B13R1.153 N#CCNC(=O)/C=C/C1CCCC1 WXVL_AK0683SB5314 [0,1,0,1,0,0|1,0,1]=4 373 B13R1.153 O=C(/C=C/C1CCCC1)NCCF WXVL_AK00466SB5314 [0,1,0,1,0,0|1,0,0]=3 374 B13R1.153 O=C(/C=C/C1CCCC1)NCCF WXVL_AK00466SB5314 [0,1,0,1,0,0|1,0,0]=3 375 B13R1.3132 CCOC(=O)/C=C/C(=O)NC1CC1 WXVL_AK0001SB0061 [0,1,0,1,0,0|1,0,1]=4 376 B13R1.3132 CCOC(=O)/C=C/C(=O)NC1CC1 WXVL_AK0001SB0061 [0,1,0,1,0,0|1,0,1]=4 377 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 WXVL_AN00478SB4144 [0,1,0,1,0,0|2,0,0]=4 378 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 WXVL_AN00478SB4144 [0,1,0,1,0,0|2,0,0]=4 379 B13R1.47 CCOC(=O)C(=O)N1CCSCC1 WXVL_AN0896SB4144 [0,1,0,1,0,0|2,0,0]=4 380 B13R1.1313 CCCCCNC(=O)C(=O)C1CC1 WXVL_AK0076SB3659 [0,1,0,1,0,0|2,0,0]=4 381 B13R1.1313 CCCCCNC(=O)C(=O)C1CC1 WXVL_AK0076SB3659 [0,1,0,1,0,0|2,0,0]=4 382 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB4144 [0,1,0,1,0,0|1,0,0]=3 383 B13R1.2910 CCOC(=O)C(=O)N1CC[C@@H]1CO WXVL_AN00694SB4144 [0,1,0,1,0,0|2,0,0]=4 384 B13R1.2910 CCOC(=O)C(=O)N1CC[C@H]1CO WXVL_AN3414SB4144 [0,1,0,1,0,0|2,0,0]=4 385 B13R1.2910 CCOC(=O)C(=O)N1CC[C@H]1CO WXVL_AN3414SB4144 [0,1,0,1,0,0|2,0,0]=4 386 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB4144 [0,1,0,1,0,0|1,0,0]=3 387 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB4144 [0,1,0,1,0,0|1,0,0]=3 388 B13R1.2966 CCOC(=O)C(=O)NCC1CCO1 WXVL_AK1433SB4144 [0,1,0,1,0,0|2,0,0]=4 389 B13R1.2966 CCOC(=O)C(=O)NCC1CCO1 WXVL_AK1433SB4144 [0,1,0,1,0,0|2,0,0]=4 390 B13R1.2966 CCOC(=O)C(=O)NCC1COC1 WXVL_AK0186SB4144 [0,1,0,1,0,0|2,0,0]=4 391 B13R1.2966 CCOC(=O)C(=O)NCC1COC1 WXVL_AK0186SB4144 [0,1,0,1,0,0|2,0,0]=4 392 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB4144 [0,1,0,1,0,0|1,0,0]=3 393 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB4144 [0,1,0,1,0,0|1,0,0]=3 394 B13R1.44 CCOCC(=O)NC1CCCCC1 WXVL_AK00480SB0091 [0,1,0,1,0,0|1,0,1]=4 395 B13R1.44 CCOCC(=O)NC1CCCCC1 WXVL_AK00480SB0091 [0,1,0,1,0,0|1,0,1]=4 396 B13R1.674 CCOCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0091 [0,1,0,1,0,0|1,0,1]=4 397 B13R1.683 CCOCC(=O)NCCC1CCC1 WXVL_AK2418SB0091 [0,1,0,1,0,0|1,0,1]=4 398 B13R1.683 CCOCC(=O)NCCC1CCC1 WXVL_AK2418SB0091 [0,1,0,1,0,0|1,0,1]=4 399 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB3094 [0,1,0,1,0,0|1,0,1]=4 400 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 WXVL_AN0008SB3094 [0,1,0,1,0,0|1,0,1]=4 401 B13R1.725 CCCCNC(=O)C1=C(OCC1)C WXVL_AK00588SC00025 [0,1,0,1,0,0|2,0,0]=4 402 B13R1.725 CCCCNC(=O)C1=C(OCC1)C WXVL_AK00588SC00025 [0,1,0,1,0,0|2,0,0]=4