0 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,0,0,0,0,0|4,0,0]=4 13 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,0,0,0,0,0|4,0,0]=4 14 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,0,0,0,0,0|2,0,0]=2 15 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,0,0,0,0,0|2,0,0]=2 18 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|2,0,0]=3 21 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,0,0,0,0,0|2,0,0]=3 22 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|2,0,0]=3 25 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,0,0,0,0,0|2,0,0]=3 26 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,0,0,0,0,0|3,0,0]=4 27 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,0,0,0,0,0|3,0,0]=4 28 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,0,0,0,0|2,0,0]=3 29 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,0,0,0,0,0|2,0,0]=3 30 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,0,0,0,0|2,0,0]=3 31 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|2,0,1]=4 33 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,2]=4 37 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,0]=2 39 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [1,0,0,0,0,0|1,0,0]=2 40 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|2,0,0]=3 41 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|3,0,0]=4 43 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [1,0,0,0,0,0|3,0,0]=4 44 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|2,0,0]=3 47 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [1,0,0,0,0,0|2,0,0]=3 48 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,1,0,0,0,0|3,0,0]=4 49 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,1,0,0,0,0|3,0,0]=4 50 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,1,0,0,0,0|3,0,0]=4 51 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,1,0,0,0,0|3,0,0]=4 52 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,1,0,0,0,0|3,0,0]=4 53 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,1,0,0,0,0|3,0,0]=4 54 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,1,0,0,0,0|3,0,0]=4 55 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,1,0,0,0,0|3,0,0]=4 56 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|3,0,0]=4 57 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,1,0,0,0,0|3,0,0]=4 58 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,0]=2 59 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,1,0,0,0,0|1,0,0]=2 60 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|3,0,0]=4 61 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,1,0,0,0,0|3,0,0]=4 62 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|2,0,0]=3 63 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,1,0,0,0,0|2,0,0]=3 64 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,0,0,0,0|2,1,0]=4 65 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,1,0,0,0,0|2,1,0]=4 66 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|2,0,0]=3 67 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,1,0,0,0,0|2,0,0]=3 68 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|2,0,0]=3 69 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,1,0,0,0,0|2,0,0]=3 70 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|2,0,0]=3 71 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,1,0,0,0,0|2,0,0]=3 72 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,1,0,0,0,0|3,0,0]=4 73 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,1,0,0,0,0|3,0,0]=4 74 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,0,0,0,0|2,1,0]=4 75 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,1,0,0,0,0|2,1,0]=4 76 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,1]=4 77 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,1,0,0,0,0|2,0,1]=4 78 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,1,0,0,0,0|1,0,1]=3 79 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,1,0,0,0,0|1,0,1]=3 80 B12R0.113 CCSCCNC(=O)CC(=O)OC WXVL_AK00494SB2790 [0,1,0,0,0,0|2,0,1]=4 81 B12R0.113 CCSCCNC(=O)CC(=O)OC WXVL_AK00494SB2790 [0,1,0,0,0,0|2,0,1]=4 82 B12R0.113 COC(=O)CC(=O)NCCCCO WXVL_AK0075SB2790 [0,1,0,0,0,0|2,0,1]=4 83 B12R0.113 COC(=O)CC(=O)NCCCCO WXVL_AK0075SB2790 [0,1,0,0,0,0|2,0,1]=4 84 B12R0.113 COC(=O)CC(=O)NCCCSC WXVL_AK0965SB2790 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.113 COC(=O)CC(=O)NCCCSC WXVL_AK0965SB2790 [0,1,0,0,0,0|2,0,1]=4 86 B12R0.113 COCCCNC(=O)CC(=O)OC WXVL_AK00637SB2790 [0,1,0,0,0,0|2,0,1]=4 87 B12R0.113 COCCCNC(=O)CC(=O)OC WXVL_AK00637SB2790 [0,1,0,0,0,0|2,0,1]=4 88 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,1,0,0,0,0|1,0,1]=3 89 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,1,0,0,0,0|1,0,1]=3 90 B12R0.142 COC(=O)CCC(=O)NCCCO WXVL_AK0073SB0069 [0,1,0,0,0,0|2,0,1]=4 91 B12R0.142 COC(=O)CCC(=O)NCCCO WXVL_AK0073SB0069 [0,1,0,0,0,0|2,0,1]=4 92 B12R0.142 COC(=O)CCC(=O)NCCSC WXVL_AK00440SB0069 [0,1,0,0,0,0|2,0,1]=4 93 B12R0.142 COC(=O)CCC(=O)NCCSC WXVL_AK00440SB0069 [0,1,0,0,0,0|2,0,1]=4 94 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,1,0,0,0,0|3,0,0]=4 95 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,1,0,0,0,0|3,0,0]=4 96 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,1,0,0,0,0|1,0,1]=3 97 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,1,0,0,0,0|1,0,1]=3 98 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,1,0,0,0,0|1,0,1]=3 99 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,1,0,0,0,0|1,0,1]=3 100 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,1,0,0,0,0|1,0,1]=3 101 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,1,0,0,0,0|1,0,1]=3 102 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,1,0,0,0,0|2,0,1]=4 103 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,1,0,0,0,0|2,0,1]=4 104 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|1,0,0]=2 105 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,1,0,0,0,0|1,0,0]=2 106 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|1,0,0]=2 107 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,1,0,0,0,0|1,0,0]=2 108 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,0,0,0,0|2,0,0]=3 109 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,1,0,0,0,0|2,0,0]=3 110 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|1,0,0]=2 111 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,1,0,0,0,0|1,0,0]=2 112 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,0,0,0,0|2,0,0]=3 113 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,1,0,0,0,0|2,0,0]=3 114 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,0,0,0,0|3,0,0]=4 115 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,1,0,0,0,0|3,0,0]=4 116 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,1,0,0,0,0|3,0,0]=4 117 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,1,0,0,0,0|3,0,0]=4 118 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,1,0,0,0,0|3,0,0]=4 119 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,1,0,0,0,0|3,0,0]=4 120 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,1,0,0,0,0|3,0,0]=4 121 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,1,0,0,0,0|3,0,0]=4 122 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,0,0,0,0|1,0,0]=2 123 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,1,0,0,0,0|1,0,0]=2 124 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,1,0,0,0,0|3,0,0]=4 125 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,1,0,0,0,0|3,0,0]=4 126 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,1,0,0,0,0|3,0,0]=4 127 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,1,0,0,0,0|3,0,0]=4 128 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,1,0,0,0,0|3,0,0]=4 129 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,1,0,0,0,0|3,0,0]=4 130 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,1,0,0,0,0|3,0,0]=4 131 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,1,0,0,0,0|3,0,0]=4 132 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,1,0,0,0,0|2,0,0]=3 133 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,1,0,0,0,0|2,0,0]=3 134 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,1,0,0,0,0|2,0,0]=3 135 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,1,0,0,0,0|2,0,0]=3 136 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,1,0,0,0,0|3,0,0]=4 137 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,1,0,0,0,0|3,0,0]=4 138 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,1,0,0,0,0|1,0,1]=3 139 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,1,0,0,0,0|1,0,1]=3 140 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,1,0,0,0,0|1,0,1]=3 141 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,1,0,0,0,0|1,0,1]=3 142 B12R0.276 COC(=O)CCCNC(=O)CSC WXVL_AK00444SB1267 [0,1,0,0,0,0|2,0,1]=4 143 B12R0.276 COC(=O)CCCNC(=O)CSC WXVL_AK00444SB1267 [0,1,0,0,0,0|2,0,1]=4 144 B12R0.276 COCC(=O)NCCCC(=O)OC WXVL_AK00444SB0090 [0,1,0,0,0,0|2,0,1]=4 145 B12R0.276 COCC(=O)NCCCC(=O)OC WXVL_AK00444SB0090 [0,1,0,0,0,0|2,0,1]=4 146 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,1,0,0,0,0|2,0,0]=3 147 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,0,0,1,0,0|3,0,0]=4 149 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,0,0,1,0,0|3,0,0]=4 150 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,0,0,1,0,0|3,0,0]=4 151 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,0,0,1,0,0|3,0,0]=4 152 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,0,0,1,0,0|3,0,0]=4 153 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,0,0,1,0,0|3,0,0]=4 154 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,0,0,1,0,0|3,0,0]=4 155 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,0,0,1,0,0|3,0,0]=4 156 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,0,0,1,0,0|1,0,2]=4 157 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,0,0,1,0,0|1,0,2]=4 158 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,0,0,1,0,0|1,0,0]=2 159 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,0,0,1,0,0|1,0,0]=2 160 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,0,0,1,0,0|2,0,0]=3 161 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,0,0,1,0,0|2,0,0]=3 162 B12R1.27 CNC(=O)CCN1CCOCC1 WXVL_AK00442SB0196 [0,0,0,1,0,0|3,0,0]=4 163 B12R1.27 CNC(=O)CCN1CCOCC1 WXVL_AK00442SB0196 [0,0,0,1,0,0|3,0,0]=4 164 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,0,0,1,0,0|2,0,0]=3 165 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,0,0,1,0,0|2,0,0]=3 166 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,0,0,1,0,0|3,0,0]=4 167 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,0,0,1,0,0|3,0,0]=4 168 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,0,0,1,0,0|3,0,0]=4 169 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,0,0,1,0,0|3,0,0]=4 170 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,0,0,1,0,0|2,0,1]=4 171 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,0,0,1,0,0|2,0,1]=4 172 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,0,0,1,0,0|2,0,0]=3 173 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,0,0,1,0,0|2,0,0]=3 174 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,0,0,1,0,0|3,0,0]=4 175 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,0,0,1,0,0|3,0,0]=4 176 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 177 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [2,0,0,0,0,0|2,0,0]=4 178 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 179 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [2,0,0,0,0,0|1,0,0]=3 180 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 181 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [2,0,0,0,0,0|1,0,0]=3 182 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 183 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 185 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [2,0,0,0,0,0|2,0,0]=4 186 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|2,0,0]=4 187 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 189 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [2,0,0,0,0,0|2,0,0]=4 190 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 191 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [2,0,0,0,0,0|2,0,0]=4 192 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [1,1,0,0,0,0|2,0,0]=4 193 B11R0.30 CC(=O)NCCCCCN(C)C WXVL_AK0956SB0150 [1,1,0,0,0,0|2,0,0]=4 194 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 195 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [1,1,0,0,0,0|1,0,1]=4 196 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [1,1,0,0,0,0|1,0,1]=4 197 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [1,1,0,0,0,0|1,0,1]=4 198 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [1,1,0,0,0,0|1,0,0]=3 199 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [1,1,0,0,0,0|1,0,0]=3 200 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,1,0,0,0,0|0,0,0]=2 201 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,1,0,0,0,0|0,0,0]=2 202 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,1,0,0,0,0|1,0,0]=3 203 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,1,0,0,0,0|1,0,0]=3 204 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [1,1,0,0,0,0|1,0,1]=4 205 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [1,1,0,0,0,0|1,0,1]=4 206 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|1,0,0]=3 207 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [1,1,0,0,0,0|1,0,0]=3 208 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [1,1,0,0,0,0|1,0,1]=4 209 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [1,1,0,0,0,0|1,0,1]=4 210 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [1,1,0,0,0,0|1,0,1]=4 211 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [1,1,0,0,0,0|1,0,1]=4 212 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [1,1,0,0,0,0|1,0,1]=4 213 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [1,1,0,0,0,0|1,0,1]=4 214 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,1,0,0,0,0|1,0,1]=4 215 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [1,1,0,0,0,0|1,0,1]=4 216 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,2,0,0,0,0|1,0,1]=4 217 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,2,0,0,0,0|1,0,1]=4 218 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,2,0,0,0,0|1,0,0]=3 219 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,2,0,0,0,0|1,0,0]=3 220 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,2,0,0,0,0|2,0,0]=4 221 B13R0.2 C/C=C/C(=O)NCCCOCCCC WXVL_AK2310SB0340 [0,2,0,0,0,0|2,0,0]=4 222 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,2,0,0,0,0|1,0,1]=4 223 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,2,0,0,0,0|1,0,1]=4 224 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,2,0,0,0,0|1,0,0]=3 225 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,2,0,0,0,0|1,0,0]=3 226 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,2,0,0,0,0|2,0,0]=4 227 B13R0.2 CC#CC(=O)NCCCOCCCC WXVL_AK2310SB1240 [0,2,0,0,0,0|2,0,0]=4 228 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|1,0,0]=3 229 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,2,0,0,0,0|1,0,0]=3 230 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,2,0,0,0,0|1,0,1]=4 231 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,2,0,0,0,0|1,0,1]=4 232 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 233 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,2,0,0,0,0|1,0,0]=3 234 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|0,0,0]=2 235 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,2,0,0,0,0|0,0,0]=2 236 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|0,1,0]=3 237 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,2,0,0,0,0|0,1,0]=3 238 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|1,0,0]=3 239 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,2,0,0,0,0|1,0,0]=3 240 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|2,0,0]=4 241 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,2,0,0,0,0|2,0,0]=4 242 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|1,0,0]=3 243 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,2,0,0,0,0|1,0,0]=3 244 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|1,1,0]=4 245 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,2,0,0,0,0|1,1,0]=4 246 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,2,0,0,0,0|2,0,0]=4 247 B13R0.66 C=CCNC(=O)CCCCCCCBr WXVL_AK00561SB0559 [0,2,0,0,0,0|2,0,0]=4 248 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,2,0,0,0,0|1,0,0]=3 249 B13R0.66 C=CCNC(=O)CCCCCCCC WXVL_AK00561SB0409 [0,2,0,0,0,0|1,0,0]=3 250 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,2,0,0,0,0|2,0,0]=4 251 B13R0.66 C=CCNC(=O)CCCCCCCO WXVL_AK00561SB1306 [0,2,0,0,0,0|2,0,0]=4 252 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [0,2,0,0,0,0|1,0,0]=3 253 B13R0.66 CCCCCCCCC(=O)NCC#N WXVL_AK0683SB0409 [0,2,0,0,0,0|1,0,0]=3 254 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,2,0,0,0,0|1,0,0]=3 255 B13R0.66 CCCCCCCCC(=O)NCCC WXVL_AK00504SB0409 [0,2,0,0,0,0|1,0,0]=3 256 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,2,0,0,0,0|1,0,0]=3 257 B13R0.66 CCCCCCCCC(=O)NCCF WXVL_AK00466SB0409 [0,2,0,0,0,0|1,0,0]=3 258 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,2,0,0,0,0|2,0,0]=4 259 B13R0.66 CCCCOCCNC(=O)CCOC WXVL_AK9674SB0156 [0,2,0,0,0,0|2,0,0]=4 260 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|2,0,0]=4 261 B13R0.66 CCCCOCCNC(=O)COCC WXVL_AK9674SB0091 [0,2,0,0,0,0|2,0,0]=4 262 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,2,0,0,0,0|2,0,0]=4 263 B13R0.66 CCCNC(=O)CCCCCCCBr WXVL_AK00504SB0559 [0,2,0,0,0,0|2,0,0]=4 264 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,2,0,0,0,0|2,0,0]=4 265 B13R0.66 CCCNC(=O)CCCCCCCO WXVL_AK00504SB1306 [0,2,0,0,0,0|2,0,0]=4 266 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|2,0,0]=4 267 B13R0.66 CCOCC(=O)NCCCCCCO WXVL_AK0751SB0091 [0,2,0,0,0,0|2,0,0]=4 268 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,2,0,0,0,0|2,0,0]=4 269 B13R0.66 COCCC(=O)NCCCCCCO WXVL_AK0751SB0156 [0,2,0,0,0,0|2,0,0]=4 270 B13R0.66 N#CCNC(=O)CCCCCCCBr WXVL_AK0683SB0559 [0,2,0,0,0,0|2,0,0]=4 271 B13R0.66 N#CCNC(=O)CCCCCCCBr WXVL_AK0683SB0559 [0,2,0,0,0,0|2,0,0]=4 272 B13R0.66 N#CCNC(=O)CCCCCCCO WXVL_AK0683SB1306 [0,2,0,0,0,0|2,0,0]=4 273 B13R0.66 N#CCNC(=O)CCCCCCCO WXVL_AK0683SB1306 [0,2,0,0,0,0|2,0,0]=4 274 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,2,0,0,0,0|2,0,0]=4 275 B13R0.66 O=C(CCCCCCCBr)NCCF WXVL_AK00466SB0559 [0,2,0,0,0,0|2,0,0]=4 276 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,2,0,0,0,0|2,0,0]=4 277 B13R0.66 O=C(CCCCCCCO)NCCF WXVL_AK00466SB1306 [0,2,0,0,0,0|2,0,0]=4 278 B13R0.88 COCC(=O)NCCCCCN(C)C WXVL_AK0956SB0090 [0,2,0,0,0,0|2,0,0]=4 279 B13R0.88 COCC(=O)NCCCCCN(C)C WXVL_AK0956SB0090 [0,2,0,0,0,0|2,0,0]=4 280 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|1,0,1]=4 281 B13R0.275 CCCCCCNC(=O)C(=O)OCC WXVL_AK0286SB4144 [0,2,0,0,0,0|1,0,1]=4 282 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,2,0,0,0,0|1,0,1]=4 283 B13R0.330 CCCCCNC(=O)CC(=O)OCC WXVL_AK0076SB3094 [0,2,0,0,0,0|1,0,1]=4 284 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,2,0,0,0,0|2,0,0]=4 285 B13R0.335 CC(C)NC(=O)CCCCCCCBr WXVL_AK0030SB0559 [0,2,0,0,0,0|2,0,0]=4 286 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,2,0,0,0,0|2,0,0]=4 287 B13R0.335 CC(C)NC(=O)CCCCCCCO WXVL_AK0030SB1306 [0,2,0,0,0,0|2,0,0]=4 288 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,2,0,0,0,0|1,0,0]=3 289 B13R0.335 CCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0409 [0,2,0,0,0,0|1,0,0]=3 290 B13R0.340 CCCCOCCNC(=O)[C@@H](C)OC WXVL_AK9674SB2926 [0,2,0,0,0,0|2,0,0]=4 291 B13R0.340 CCCCOCCNC(=O)[C@@H](C)OC WXVL_AK9674SB2926 [0,2,0,0,0,0|2,0,0]=4 292 B13R0.340 CO[C@H](C)C(=O)NCCCCCCO WXVL_AK0751SB2926 [0,2,0,0,0,0|2,0,0]=4 293 B13R0.340 CO[C@H](C)C(=O)NCCCCCCO WXVL_AK0751SB2926 [0,2,0,0,0,0|2,0,0]=4 294 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [0,2,0,0,0,0|2,0,0]=4 295 B13R0.1338 CCCCCCCCS(=O)(=O)NCC WXVL_AK00476HU0331 [0,2,0,0,0,0|2,0,0]=4 296 B13R0.250 CCC(C)C(=O)NCCCC(=O)OC WXVL_AK00444SB0054 [0,2,0,0,0,0|1,0,1]=4 297 B13R0.250 CCC(C)C(=O)NCCCC(=O)OC WXVL_AK00444SB0054 [0,2,0,0,0,0|1,0,1]=4 298 B13R0.250 CC[C@@H](C)C(=O)NCCCC(=O)OC WXVL_AK00444SB00054 [0,2,0,0,0,0|1,0,1]=4 299 B13R0.250 CC[C@@H](C)C(=O)NCCCC(=O)OC WXVL_AK00444SB00054 [0,2,0,0,0,0|1,0,1]=4 300 B13R0.250 CC[C@H](O)C(=O)NCCCC(=O)OC WXVL_AK00444SB3573 [0,2,0,0,0,0|1,0,1]=4 301 B13R0.250 CC[C@H](O)C(=O)NCCCC(=O)OC WXVL_AK00444SB3573 [0,2,0,0,0,0|1,0,1]=4 302 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC WXVL_AK0076SB5708 [0,2,0,0,0,0|1,0,1]=4 303 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC WXVL_AK0076SB5708 [0,2,0,0,0,0|1,0,1]=4 304 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [0,2,0,0,0,0|1,0,0]=3 305 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [0,2,0,0,0,0|1,0,0]=3 306 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|0,0,1]=3 307 B13R0.274 CCCCCCNC(=O)CC(=O)OC WXVL_AK0286SB2790 [0,2,0,0,0,0|0,0,1]=3 308 B13R0.274 CCOCCCNC(=O)CC(=O)OC WXVL_AK0072SB2790 [0,2,0,0,0,0|1,0,1]=4 309 B13R0.274 CCOCCCNC(=O)CC(=O)OC WXVL_AK0072SB2790 [0,2,0,0,0,0|1,0,1]=4 310 B13R0.274 COC(=O)CC(=O)NCCCCCO WXVL_AK0077SB2790 [0,2,0,0,0,0|1,0,1]=4 311 B13R0.274 COC(=O)CC(=O)NCCCCCO WXVL_AK0077SB2790 [0,2,0,0,0,0|1,0,1]=4 312 B13R0.805 CCCCCNS(=O)(=O)CC(=O)OC WXVL_AK0076HU0075 [0,2,0,0,0,0|2,0,0]=4 313 B13R0.805 CCCCCNS(=O)(=O)CC(=O)OC WXVL_AK0076HU0075 [0,2,0,0,0,0|2,0,0]=4 314 B13R0.493 COC(=O)CCC(=O)NCCC(C)C WXVL_AK0068SB0069 [0,2,0,0,0,0|1,0,1]=4 315 B13R0.493 COC(=O)CCC(=O)NCCC(C)C WXVL_AK0068SB0069 [0,2,0,0,0,0|1,0,1]=4 316 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [0,2,0,0,0,0|0,0,1]=3 317 B13R0.1170 CCCCCNC(=O)CCC(=O)OC WXVL_AK0076SB0069 [0,2,0,0,0,0|0,0,1]=3 318 B13R0.1170 CCSCCNC(=O)CCC(=O)OC WXVL_AK00494SB0069 [0,2,0,0,0,0|1,0,1]=4 319 B13R0.1170 CCSCCNC(=O)CCC(=O)OC WXVL_AK00494SB0069 [0,2,0,0,0,0|1,0,1]=4 320 B13R0.1170 COC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0069 [0,2,0,0,0,0|1,0,1]=4 321 B13R0.1170 COC(=O)CCC(=O)NCCCCO WXVL_AK0075SB0069 [0,2,0,0,0,0|1,0,1]=4 322 B13R0.1170 COC(=O)CCC(=O)NCCCSC WXVL_AK0965SB0069 [0,2,0,0,0,0|1,0,1]=4 323 B13R0.1170 COC(=O)CCC(=O)NCCCSC WXVL_AK0965SB0069 [0,2,0,0,0,0|1,0,1]=4 324 B13R0.1170 COCCCNC(=O)CCC(=O)OC WXVL_AK00637SB0069 [0,2,0,0,0,0|1,0,1]=4 325 B13R0.1170 COCCCNC(=O)CCC(=O)OC WXVL_AK00637SB0069 [0,2,0,0,0,0|1,0,1]=4 326 B13R0.1256 CCCCNS(=O)(=O)CCC(=O)OC WXVL_AK00588HU0340 [0,2,0,0,0,0|2,0,0]=4 327 B13R0.1256 CCCCNS(=O)(=O)CCC(=O)OC WXVL_AK00588HU0340 [0,2,0,0,0,0|2,0,0]=4 328 B13R0.1521 CCC[C@H](C)NC(=O)CCC(=O)OC WXVL_AK00682SB0069 [0,2,0,0,0,0|1,0,1]=4 329 B13R0.1521 CCC[C@H](C)NC(=O)CCC(=O)OC WXVL_AK00682SB0069 [0,2,0,0,0,0|1,0,1]=4 330 B13R0.198 COC(=O)CCCCC(=O)NC(C)C WXVL_AK0030SB1209 [0,2,0,0,0,0|1,0,1]=4 331 B13R0.198 COC(=O)CCCCC(=O)NC(C)C WXVL_AK0030SB1209 [0,2,0,0,0,0|1,0,1]=4 332 B13R0.198 COC(=O)CCCNC(=O)CC(C)C WXVL_AK00444SB0063 [0,2,0,0,0,0|1,0,1]=4 333 B13R0.198 COC(=O)CCCNC(=O)CC(C)C WXVL_AK00444SB0063 [0,2,0,0,0,0|1,0,1]=4 334 B13R0.198 COC(=O)CCCNC(=O)CC(C)O WXVL_AK00444SB3643 [0,2,0,0,0,0|1,0,1]=4 335 B13R0.198 COC(=O)CCCNC(=O)CC(C)O WXVL_AK00444SB3643 [0,2,0,0,0,0|1,0,1]=4 336 B13R0.201 CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0064 [0,2,0,0,0,0|0,0,1]=3 337 B13R0.201 CCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0064 [0,2,0,0,0,0|0,0,1]=3 338 B13R0.201 CNC(=O)CCCCCCC(=O)OC WXVL_AK00442SB3124 [0,2,0,0,0,0|0,0,1]=3 339 B13R0.201 CNC(=O)CCCCCCC(=O)OC WXVL_AK00442SB3124 [0,2,0,0,0,0|0,0,1]=3 340 B13R0.201 COC(=O)CCCCCNC(=O)CO WXVL_AK00438SB2706 [0,2,0,0,0,0|1,0,1]=4 341 B13R0.201 COC(=O)CCCCCNC(=O)CO WXVL_AK00438SB2706 [0,2,0,0,0,0|1,0,1]=4 342 B13R0.113 CCCNC(=O)CCCCC(=O)OC WXVL_AK00504SB1209 [0,2,0,0,0,0|0,0,1]=3 343 B13R0.113 CCCNC(=O)CCCCC(=O)OC WXVL_AK00504SB1209 [0,2,0,0,0,0|0,0,1]=3 344 B13R0.113 CCOCC(=O)NCCCC(=O)OC WXVL_AK00444SB0091 [0,2,0,0,0,0|1,0,1]=4 345 B13R0.113 CCOCC(=O)NCCCC(=O)OC WXVL_AK00444SB0091 [0,2,0,0,0,0|1,0,1]=4 346 B13R0.113 CCSCC(=O)NCCCC(=O)OC WXVL_AK00444SB0002 [0,2,0,0,0,0|1,0,1]=4 347 B13R0.113 CCSCC(=O)NCCCC(=O)OC WXVL_AK00444SB0002 [0,2,0,0,0,0|1,0,1]=4 348 B13R0.113 COC(=O)CCCCC(=O)NCCF WXVL_AK00466SB1209 [0,2,0,0,0,0|1,0,1]=4 349 B13R0.113 COC(=O)CCCCC(=O)NCCF WXVL_AK00466SB1209 [0,2,0,0,0,0|1,0,1]=4 350 B13R0.113 COC(=O)CCCNC(=O)CCSC WXVL_AK00444SB0361 [0,2,0,0,0,0|1,0,1]=4 351 B13R0.113 COC(=O)CCCNC(=O)CCSC WXVL_AK00444SB0361 [0,2,0,0,0,0|1,0,1]=4 352 B13R0.113 COCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0156 [0,2,0,0,0,0|1,0,1]=4 353 B13R0.113 COCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0156 [0,2,0,0,0,0|1,0,1]=4 354 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,2,0,0,0,0|1,0,1]=4 355 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,2,0,0,0,0|1,0,1]=4 356 B13R0.147 C#CC(=O)NCCCCCCCCO WXVL_AK4142SB0338 [0,2,0,0,0,0|1,0,1]=4 357 B13R0.147 C#CC(=O)NCCCCCCCCO WXVL_AK4142SB0338 [0,2,0,0,0,0|1,0,1]=4 358 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [0,2,0,0,0,0|1,0,0]=3 359 B13R0.147 C=CCCCCCCCCC(=O)NC WXVL_AK00442SB0481 [0,2,0,0,0,0|1,0,0]=3 360 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,2,0,0,0,0|1,0,0]=3 361 B13R0.147 CCC(=O)NCCCCCCCCO WXVL_AK4142SB0064 [0,2,0,0,0,0|1,0,0]=3 362 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,2,0,0,0,0|1,0,0]=3 363 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,2,0,0,0,0|1,0,0]=3 364 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,2,0,0,0,0|1,0,0]=3 365 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,2,0,0,0,0|1,0,0]=3 366 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,2,0,0,0,0|2,0,0]=4 367 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,2,0,0,0,0|2,0,0]=4 368 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,2,0,0,0,0|2,0,0]=4 369 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,2,0,0,0,0|2,0,0]=4 370 B13R0.150 C=C(F)C(=O)NCCCCCCCC WXVL_AK1818SB1376 [0,2,0,0,0,0|1,0,1]=4 371 B13R0.150 C=C(F)C(=O)NCCCCCCCC WXVL_AK1818SB1376 [0,2,0,0,0,0|1,0,1]=4 372 B13R0.150 CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0447 [0,2,0,0,0,0|1,0,0]=3 373 B13R0.150 CCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0447 [0,2,0,0,0,0|1,0,0]=3 374 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,2,0,0,0,0|1,0,0]=3 375 B13R0.150 CCCCCCCCNC(=O)C(=O)C WXVL_AK1818SB0051 [0,2,0,0,0,0|1,0,0]=3 376 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,2,0,0,0,0|2,0,0]=4 377 B13R0.150 CCCCCCCCNC(=O)C(=O)N WXVL_AK1818SB0128 [0,2,0,0,0,0|2,0,0]=4 378 B13R0.150 CCCCCCCCNC(=O)C(C)C WXVL_AK1818SB0052 [0,2,0,0,0,0|1,0,0]=3 379 B13R0.150 CCCCCCCCNC(=O)C(C)C WXVL_AK1818SB0052 [0,2,0,0,0,0|1,0,0]=3 380 B13R0.150 CCCCCCCCNC(=O)C(C)S WXVL_AK1818SB2708 [0,2,0,0,0,0|1,0,0]=3 381 B13R0.150 CCCCCCCCNC(=O)C(C)S WXVL_AK1818SB2708 [0,2,0,0,0,0|1,0,0]=3 382 B13R0.150 CCCCCCCCNC(=O)C(F)F WXVL_AK1818SB0079 [0,2,0,0,0,0|2,0,0]=4 383 B13R0.150 CCCCCCCCNC(=O)C(F)F WXVL_AK1818SB0079 [0,2,0,0,0,0|2,0,0]=4 384 B13R0.150 CCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0182 [0,2,0,0,0,0|1,0,0]=3 385 B13R0.150 CCCCCCCCNC(=O)N(C)C WXVL_AN0032YV0182 [0,2,0,0,0,0|1,0,0]=3 386 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,2,0,0,0,0|1,0,0]=3 387 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1818SB1085 [0,2,0,0,0,0|1,0,0]=3 388 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,2,0,0,0,0|2,0,0]=4 389 B13R0.150 CCCCOCCCNC(=O)C(=O)C WXVL_AK2310SB0051 [0,2,0,0,0,0|2,0,0]=4 390 B13R0.150 CCCCOCCCNC(=O)C(C)C WXVL_AK2310SB0052 [0,2,0,0,0,0|2,0,0]=4 391 B13R0.150 CCCCOCCCNC(=O)C(C)C WXVL_AK2310SB0052 [0,2,0,0,0,0|2,0,0]=4 392 B13R0.150 CCCCOCCCNC(=O)C(C)S WXVL_AK2310SB2708 [0,2,0,0,0,0|2,0,0]=4 393 B13R0.150 CCCCOCCCNC(=O)C(C)S WXVL_AK2310SB2708 [0,2,0,0,0,0|2,0,0]=4 394 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O WXVL_AK2310SB1085 [0,2,0,0,0,0|2,0,0]=4 395 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O WXVL_AK2310SB1085 [0,2,0,0,0,0|2,0,0]=4 396 B13R0.202 COC(=O)CCCCCCNC(=O)C WXVL_AK00211SB0150 [0,2,0,0,0,0|0,0,1]=3 397 B13R0.202 COC(=O)CCCCCCNC(=O)C WXVL_AK00211SB0150 [0,2,0,0,0,0|0,0,1]=3 398 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [0,2,0,0,0,0|2,0,0]=4 399 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [0,2,0,0,0,0|2,0,0]=4 400 B13R0.413 CCCCCCCCS(=O)(=O)N(C)C WXVL_AN0032HU0331 [0,2,0,0,0,0|2,0,0]=4 401 B13R0.413 CCCCCCCCS(=O)(=O)N(C)C WXVL_AN0032HU0331 [0,2,0,0,0,0|2,0,0]=4 402 B13R0.226 CCCS(=O)(=O)NCCCC(=O)OC WXVL_AK00444HU0030 [0,2,0,0,0,0|2,0,0]=4 403 B13R0.226 CCCS(=O)(=O)NCCCC(=O)OC WXVL_AK00444HU0030 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [1,0,0,1,0,0|2,0,0]=4 405 B11R1.53 CC(=O)N1CCCCC1CO WXVL_AN0018SB0150 [1,0,0,1,0,0|2,0,0]=4 406 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [1,0,0,1,0,0|2,0,0]=4 407 B11R1.90 CC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0150 [1,0,0,1,0,0|2,0,0]=4 408 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [1,0,0,1,0,0|2,0,0]=4 409 B11R1.91 CC(=O)NCC1CCCCO1 WXVL_AK1232SB0150 [1,0,0,1,0,0|2,0,0]=4 410 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [1,0,0,1,0,0|2,0,0]=4 411 B11R1.91 CC(=O)NCC1CCCOC1 WXVL_AK00150SB0150 [1,0,0,1,0,0|2,0,0]=4 412 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [1,0,0,1,0,0|2,0,0]=4 413 B11R1.91 CC(=O)NCC1CCOCC1 WXVL_AK0150SB0150 [1,0,0,1,0,0|2,0,0]=4 414 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [1,0,0,1,0,0|2,0,0]=4 415 B11R1.91 CC(=O)NCC1CCSCC1 WXVL_AK00654SB0150 [1,0,0,1,0,0|2,0,0]=4 416 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [1,0,0,1,0,0|1,0,0]=3 417 B11R1.91 NC(=O)CCC1CCCCC1 WXVL_AK0084SB0049 [1,0,0,1,0,0|1,0,0]=3 418 B11R1.91 NC(=O)CCN1CCCCC1 WXVL_AK0084SB0127 [1,0,0,1,0,0|2,0,0]=4 419 B11R1.91 NC(=O)CCN1CCCCC1 WXVL_AK0084SB0127 [1,0,0,1,0,0|2,0,0]=4 420 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [1,0,0,1,0,0|2,0,0]=4 421 B11R1.91 NC(=O)COC1CCCCC1 WXVL_AK0084SB3400 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|1,0,0]=3 423 B11R1.172 CC(=O)NCCC1CCCC1 WXVL_AK00531SB0150 [1,0,0,1,0,0|1,0,0]=3 424 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|2,0,0]=4 425 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [1,0,0,1,0,0|2,0,0]=4 426 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|1,0,0]=3 427 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [1,0,0,1,0,0|1,0,0]=3 428 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [1,0,0,1,0,0|2,0,0]=4 429 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [1,0,0,1,0,0|2,0,0]=4 430 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [1,0,0,1,0,0|2,0,0]=4 431 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [1,0,0,1,0,0|2,0,0]=4 432 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|2,0,0]=4 433 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,0,0,1,0,0|2,0,0]=4 434 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [1,0,0,1,0,0|2,0,0]=4 435 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [1,0,0,1,0,0|2,0,0]=4 436 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [1,0,0,1,0,0|2,0,0]=4 437 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [1,0,0,1,0,0|2,0,0]=4 438 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [1,0,0,1,0,0|2,0,0]=4 439 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [1,0,0,1,0,0|2,0,0]=4 440 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [1,0,0,1,0,0|2,0,0]=4 441 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [1,0,0,1,0,0|2,0,0]=4 442 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [1,0,0,1,0,0|2,0,0]=4 443 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|2,0,0]=4 444 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [1,0,0,1,0,0|2,0,0]=4 445 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|1,0,0]=3 446 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [1,0,0,1,0,0|1,0,0]=3 447 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,1,0,1,0,0|1,0,0]=3 448 B13R1.42 CCNC(=O)CCC1CCCCC1 WXVL_AK00476SB0049 [0,1,0,1,0,0|1,0,0]=3 449 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,1,0,1,0,0|2,0,0]=4 450 B13R1.42 CCNC(=O)CCN1CCCCC1 WXVL_AK00476SB0127 [0,1,0,1,0,0|2,0,0]=4 451 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,1,0,1,0,0|2,0,0]=4 452 B13R1.42 CCNC(=O)COC1CCCCC1 WXVL_AK00476SB3400 [0,1,0,1,0,0|2,0,0]=4 453 B13R1.42 COCC(=O)NCC1CCCCO1 WXVL_AK1232SB0090 [0,1,0,1,0,0|2,0,0]=4 454 B13R1.42 COCC(=O)NCC1CCCCO1 WXVL_AK1232SB0090 [0,1,0,1,0,0|2,0,0]=4 455 B13R1.42 COCC(=O)NCC1CCCOC1 WXVL_AK00150SB0090 [0,1,0,1,0,0|2,0,0]=4 456 B13R1.42 COCC(=O)NCC1CCCOC1 WXVL_AK00150SB0090 [0,1,0,1,0,0|2,0,0]=4 457 B13R1.42 COCC(=O)NCC1CCOCC1 WXVL_AK0150SB0090 [0,1,0,1,0,0|2,0,0]=4 458 B13R1.42 COCC(=O)NCC1CCOCC1 WXVL_AK0150SB0090 [0,1,0,1,0,0|2,0,0]=4 459 B13R1.42 COCC(=O)NCC1CCSCC1 WXVL_AK00654SB0090 [0,1,0,1,0,0|2,0,0]=4 460 B13R1.42 COCC(=O)NCC1CCSCC1 WXVL_AK00654SB0090 [0,1,0,1,0,0|2,0,0]=4 461 B13R1.404 C/C=C/C(=O)NCCC1CCCC1 WXVL_AK00531SB0340 [0,1,0,1,0,0|2,0,0]=4 462 B13R1.404 C/C=C/C(=O)NCCC1CCCC1 WXVL_AK00531SB0340 [0,1,0,1,0,0|2,0,0]=4 463 B13R1.404 CC#CC(=O)NCCC1CCCC1 WXVL_AK00531SB1240 [0,1,0,1,0,0|2,0,0]=4 464 B13R1.404 CC#CC(=O)NCCC1CCCC1 WXVL_AK00531SB1240 [0,1,0,1,0,0|2,0,0]=4 465 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,1,0,1,0,0|2,0,0]=4 466 B13R1.404 CCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0073 [0,1,0,1,0,0|2,0,0]=4 467 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|1,0,0]=3 468 B13R1.404 COCC(=O)NCCC1CCCC1 WXVL_AK00531SB0090 [0,1,0,1,0,0|1,0,0]=3 469 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,1,0,1,0,0|1,1,0]=4 470 B13R1.404 CSCC(=O)NCCC1CCCC1 WXVL_AK00531SB1267 [0,1,0,1,0,0|1,1,0]=4 471 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0090 [0,1,0,1,0,0|2,0,0]=4 472 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0090 [0,1,0,1,0,0|2,0,0]=4 473 B13R1.464 COCC(=O)N1CCCCC1CO WXVL_AN0018SB0090 [0,1,0,1,0,0|2,0,0]=4 474 B13R1.464 COCC(=O)N1CCCCC1CO WXVL_AN0018SB0090 [0,1,0,1,0,0|2,0,0]=4 475 B13R1.718 C#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0338 [0,1,0,1,0,0|1,0,1]=4 476 B13R1.718 C#CC(=O)NCCC1CCCCC1 WXVL_AK1287SB0338 [0,1,0,1,0,0|1,0,1]=4 477 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [0,1,0,1,0,0|1,0,0]=3 478 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [0,1,0,1,0,0|1,0,0]=3 479 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [0,1,0,1,0,0|2,0,0]=4 480 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [0,1,0,1,0,0|2,0,0]=4 481 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [0,1,0,1,0,0|2,0,0]=4 482 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [0,1,0,1,0,0|2,0,0]=4 483 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,1,0,1,0,0|2,0,0]=4 484 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,1,0,1,0,0|2,0,0]=4 485 B13R1.439 COC(=O)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB2790 [0,1,0,1,0,0|1,0,1]=4 486 B13R1.441 COC(=O)CC(=O)NCC1CCC1 WXVL_AK00492SB2790 [0,1,0,1,0,0|1,0,1]=4 487 B13R1.441 COC(=O)CC(=O)NCC1CCC1 WXVL_AK00492SB2790 [0,1,0,1,0,0|1,0,1]=4 488 B13R1.442 COC(=O)CC(=O)NCCC1CC1 WXVL_AK00594SB2790 [0,1,0,1,0,0|1,0,1]=4 489 B13R1.442 COC(=O)CC(=O)NCCC1CC1 WXVL_AK00594SB2790 [0,1,0,1,0,0|1,0,1]=4 490 B13R1.162 COC(=O)CCC(=O)N1CCCC1 WXVL_AN0008SB0069 [0,1,0,1,0,0|1,0,1]=4 491 B13R1.162 COC(=O)CCC(=O)N1CCCC1 WXVL_AN0008SB0069 [0,1,0,1,0,0|1,0,1]=4 492 B13R1.2045 CCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0064 [0,1,0,1,0,0|2,0,0]=4 493 B13R1.2045 CCC(=O)NCC1(CCCCC1)O WXVL_AK00611SB0064 [0,1,0,1,0,0|2,0,0]=4 494 B13R1.14 CCC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0064 [0,1,0,1,0,0|2,0,0]=4 495 B13R1.14 CCC(=O)NC[C@H]1CC[C@@H](CC1)O WXVL_AK5708SB0064 [0,1,0,1,0,0|2,0,0]=4 496 B13R1.547 COC(=O)C1CCCCN1C(=O)C WXVL_AN0557SB0150 [0,1,0,1,0,0|1,0,1]=4 497 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)N WXVL_AK0084SB0489 [0,1,0,1,0,0|1,0,1]=4 498 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)N WXVL_AK0084SB0489 [0,1,0,1,0,0|1,0,1]=4 499 B13R1.2880 COC(=O)C[C@@H]1CCCN1C(=O)C WXVL_AN3568SB0150 [0,1,0,1,0,0|1,0,1]=4 500 B13R1.2880 COC(=O)C[C@@H]1CCCN1C(=O)C WXVL_AN3568SB0150 [0,1,0,1,0,0|1,0,1]=4 501 B13R1.382 CCC(=O)N1CCCCC1CCO WXVL_AN2918SB0064 [0,1,0,1,0,0|2,0,0]=4 502 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [0,1,0,1,0,0|2,0,0]=4 503 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [0,1,0,1,0,0|2,0,0]=4 504 B13R1.382 CCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0064 [0,1,0,1,0,0|2,0,0]=4 505 B13R1.536 CCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0064 [0,1,0,1,0,0|2,0,0]=4 506 B13R1.536 CCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0064 [0,1,0,1,0,0|2,0,0]=4 507 B13R1.536 CCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0064 [0,1,0,1,0,0|2,0,0]=4 508 B13R1.536 CCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0064 [0,1,0,1,0,0|2,0,0]=4 509 B13R1.536 CNC(=O)CCCCC1CCSS1 WXVL_AK00442SB1230 [0,1,0,1,0,0|2,0,0]=4 510 B13R1.536 CNC(=O)CCCCC1CCSS1 WXVL_AK00442SB1230 [0,1,0,1,0,0|2,0,0]=4 511 B13R1.581 C#CC(=O)N1CCCC1CCCC WXVL_AN00739SB0338 [0,1,0,1,0,0|1,0,1]=4 512 B13R1.581 CCCCC1CCCN1C(=O)CC WXVL_AN00739SB0064 [0,1,0,1,0,0|1,0,0]=3 513 B13R1.581 CCCCC1CCCN1C(=O)CO WXVL_AN00739SB2706 [0,1,0,1,0,0|2,0,0]=4 514 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [0,1,0,1,0,0|2,0,0]=4 515 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [0,1,0,1,0,0|2,0,0]=4 516 B13R1.351 CN(C)C(=O)CCC1CCCCC1 WXVL_AN0032SB0049 [0,1,0,1,0,0|1,0,0]=3 517 B13R1.351 CN(C)C(=O)CCC1CCCCC1 WXVL_AN0032SB0049 [0,1,0,1,0,0|1,0,0]=3 518 B13R1.351 CN(C)C(=O)CCN1CCCCC1 WXVL_AN0032SB0127 [0,1,0,1,0,0|2,0,0]=4 519 B13R1.351 CN(C)C(=O)CCN1CCCCC1 WXVL_AN0032SB0127 [0,1,0,1,0,0|2,0,0]=4 520 B13R1.351 CN(C)C(=O)COC1CCCCC1 WXVL_AN0032SB3400 [0,1,0,1,0,0|2,0,0]=4 521 B13R1.351 CN(C)C(=O)COC1CCCCC1 WXVL_AN0032SB3400 [0,1,0,1,0,0|2,0,0]=4 522 B13R1.1110 CC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0051 [0,1,0,1,0,0|2,0,0]=4 523 B13R1.1110 CC(=O)C(=O)NCCC1CCCC1 WXVL_AK00531SB0051 [0,1,0,1,0,0|2,0,0]=4 524 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 WXVL_AK00531SB0052 [0,1,0,1,0,0|2,0,0]=4 525 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 WXVL_AK00531SB0052 [0,1,0,1,0,0|2,0,0]=4 526 B13R1.1110 CC(S)C(=O)NCCC1CCCC1 WXVL_AK00531SB2708 [0,1,0,1,0,0|2,0,0]=4 527 B13R1.1110 CC(S)C(=O)NCCC1CCCC1 WXVL_AK00531SB2708 [0,1,0,1,0,0|2,0,0]=4 528 B13R1.1110 C[C@@H](O)C(=O)NCCC1CCCC1 WXVL_AK00531SB1085 [0,1,0,1,0,0|2,0,0]=4 529 B13R1.1110 C[C@@H](O)C(=O)NCCC1CCCC1 WXVL_AK00531SB1085 [0,1,0,1,0,0|2,0,0]=4 530 B13R1.1734 COC(=O)CCCNC(=O)C1CC1 WXVL_AK00444SB0038 [0,1,0,1,0,0|1,0,1]=4 531 B13R1.1734 COC(=O)CCCNC(=O)C1CC1 WXVL_AK00444SB0038 [0,1,0,1,0,0|1,0,1]=4 532 B13R2.1153 CCC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0064 [0,0,0,2,0,0|2,0,0]=4 533 B13R2.1153 CCC(=O)N1CC2CCC1CC2 WXVL_AN3285SB0064 [0,0,0,2,0,0|2,0,0]=4 534 B13R2.6859 CNC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK00442SB0403 [0,0,0,2,0,0|1,0,0]=3 535 B13R2.6859 CNC(=O)CC1C[C@@H]2CC[C@H]1C2 WXVL_AK00442SB0403 [0,0,0,2,0,0|1,0,0]=3 536 B13R2.531 CCC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0064 [0,0,0,2,0,0|2,0,0]=4 537 B13R2.531 CCC(=O)N1CC2CCCC2C1 WXVL_AN0179SB0064 [0,0,0,2,0,0|2,0,0]=4