0 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.74 C#CC(=O)NCCCCCC WXVL_AK0286SB0338 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.74 C#CC(=O)NCCCCCO WXVL_AK0077SB0338 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.74 C#CC(=O)NCCCCCO WXVL_AK0077SB0338 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.74 C#CC(=O)NCCCOCC WXVL_AK0072SB0338 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.74 C#CC(=O)NCCCOCC WXVL_AK0072SB0338 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.74 C#CCCCCNC(=O)CC WXVL_AK00614SB0064 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.74 C#CCCCCNC(=O)CO WXVL_AK00614SB2706 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.74 C#CCOCCNC(=O)CC WXVL_AK00687SB0064 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.74 C#CCOCCNC(=O)CC WXVL_AK00687SB0064 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.74 C=COCCCNC(=O)CC WXVL_AK7221SB0064 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.74 C=COCCCNC(=O)CC WXVL_AK7221SB0064 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|2,0,0]=2 15 B10R0.74 CCC(=O)NCCCCCO WXVL_AK0077SB0064 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.74 CCC(=O)NCCNCCO WXVL_AK0954SB0064 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,0,0,0,0,0|1,0,2]=3 19 B10R0.74 CCCCC/C=C/C(=O)NC WXVL_AK00442SB3331 [0,0,0,0,0,0|1,0,2]=3 20 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|1,0,0]=1 21 B10R0.74 CCCCCCCC(=O)NC WXVL_AK00442SB0393 [0,0,0,0,0,0|1,0,0]=1 22 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|1,0,0]=1 23 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [0,0,0,0,0,0|1,0,0]=1 24 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|2,0,0]=2 25 B10R0.74 CCCCCCNC(=O)CO WXVL_AK0286SB2706 [0,0,0,0,0,0|2,0,0]=2 26 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|2,0,0]=2 27 B10R0.74 CCOCCCNC(=O)CC WXVL_AK0072SB0064 [0,0,0,0,0,0|2,0,0]=2 28 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.74 CCOCCCNC(=O)CO WXVL_AK0072SB2706 [0,0,0,0,0,0|3,0,0]=3 30 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,0,0,0,0,0|2,0,0]=2 31 B10R0.74 CNC(=O)CCCCCCBr WXVL_AK00442SB1386 [0,0,0,0,0,0|2,0,0]=2 32 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.74 O=C(CO)NCCCCCO WXVL_AK0077SB2706 [0,0,0,0,0,0|3,0,0]=3 34 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.74 O=C(CO)NCCNCCO WXVL_AK0954SB2706 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [1,0,0,0,0,0|1,0,2]=4 37 B9R0.2 C#CCCCCNC(=O)C WXVL_AK00614SB0150 [1,0,0,0,0,0|1,0,2]=4 38 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 39 B9R0.2 CC(=O)NCCCCCO WXVL_AK0077SB0150 [1,0,0,0,0,0|2,0,0]=3 40 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.2 CC(=O)NCCNCCO WXVL_AK0954SB0150 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.2 CCCCC/C=C/C(=O)N WXVL_AK0084SB3331 [1,0,0,0,0,0|1,0,2]=4 44 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,0]=2 45 B9R0.2 CCCCCCCC(=O)N WXVL_AK0084SB0393 [1,0,0,0,0,0|1,0,0]=2 46 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,0]=2 47 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,0,0,0,0|1,0,0]=2 48 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,0]=3 49 B9R0.2 CCOCCCNC(=O)C WXVL_AK0072SB0150 [1,0,0,0,0,0|2,0,0]=3 50 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,0]=3 51 B9R0.2 NC(=O)CCCCCCBr WXVL_AK0084SB1386 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|1,0,2]=4 53 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [1,0,0,0,0,0|1,0,2]=4 55 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,0]=3 57 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,0]=2 63 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,0]=2 64 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,0]=3 66 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,0]=3 72 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,0,0,0,0,0|3,0,0]=4 82 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|1,0,1]=3 83 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|1,0,1]=3 84 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,1,0,0,0,0|2,0,1]=4 85 B11R0.4 C#CCC(=O)NCCCCCO WXVL_AK0077SB3070 [0,1,0,0,0,0|2,0,1]=4 86 B11R0.4 C#CCC(=O)NCCCOCC WXVL_AK0072SB3070 [0,1,0,0,0,0|2,0,1]=4 87 B11R0.4 C#CCC(=O)NCCCOCC WXVL_AK0072SB3070 [0,1,0,0,0,0|2,0,1]=4 88 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,1,0,0,0,0|1,0,2]=4 89 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,1,0,0,0,0|1,0,2]=4 90 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,1,0,0,0,0|1,0,2]=4 91 B11R0.4 C#CCCCCNC(=O)COC WXVL_AK00614SB0090 [0,1,0,0,0,0|1,0,2]=4 92 B11R0.4 C#CCCCCNC(=O)CSC WXVL_AK00614SB1267 [0,1,0,0,0,0|1,0,2]=4 93 B11R0.4 C#CCCCCNC(=O)CSC WXVL_AK00614SB1267 [0,1,0,0,0,0|1,0,2]=4 94 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|1,0,1]=3 95 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|1,0,1]=3 96 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|2,0,1]=4 97 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|2,0,1]=4 98 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|2,0,1]=4 99 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|2,0,1]=4 100 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|1,0,1]=3 101 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|1,0,1]=3 102 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,1,0,0,0,0|2,0,1]=4 103 B11R0.4 C=CCC(=O)NCCCCCO WXVL_AK0077SB2732 [0,1,0,0,0,0|2,0,1]=4 104 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [0,1,0,0,0,0|2,0,1]=4 105 B11R0.4 C=CCC(=O)NCCCOCC WXVL_AK0072SB2732 [0,1,0,0,0,0|2,0,1]=4 106 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|1,0,1]=3 107 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|1,0,1]=3 108 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|2,0,1]=4 109 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|2,0,1]=4 110 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|2,0,1]=4 111 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|2,0,1]=4 112 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|2,0,0]=3 113 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|2,0,0]=3 114 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|2,0,0]=3 115 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|2,0,0]=3 116 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|0,0,2]=3 119 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|0,0,2]=3 120 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|0,0,0]=1 121 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|0,0,0]=1 122 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|1,0,1]=3 123 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|1,0,1]=3 124 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,0]=2 125 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,0]=2 126 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,0]=2 127 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,0,0]=2 129 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|1,0,0]=2 130 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|1,0,0]=2 131 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|1,0,0]=2 132 B11R0.4 CCOCCCNC(=O)CC#N WXVL_AK0072SB0057 [0,1,0,0,0,0|2,0,1]=4 133 B11R0.4 CCOCCCNC(=O)CC#N WXVL_AK0072SB0057 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,0,0]=3 137 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|2,0,0]=3 138 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,0]=3 139 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|2,0,0]=3 140 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.4 COCC(=O)NCCNCCO WXVL_AK0954SB0090 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|2,0,0]=3 143 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|2,0,0]=3 144 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.4 CSCC(=O)NCCNCCO WXVL_AK0954SB1267 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,1,0,0,0,0|2,0,1]=4 147 B11R0.4 N#CCC(=O)NCCCCCO WXVL_AK0077SB0057 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,1,0,0,0,0|1,0,2]=4 149 B11R0.40 C#CC(=O)NCCCCCCO WXVL_AK0751SB0338 [0,1,0,0,0,0|1,0,2]=4 150 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,1,0,0,0,0|1,0,2]=4 151 B11R0.40 C#CC(=O)NCCOCCCC WXVL_AK9674SB0338 [0,1,0,0,0,0|1,0,2]=4 152 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|1,0,0]=2 153 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [0,1,0,0,0,0|1,0,0]=2 154 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|2,0,0]=3 155 B11R0.40 CCC(=O)NCCOCCOC WXVL_AK2206SB0064 [0,1,0,0,0,0|2,0,0]=3 156 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,0]=2 157 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [0,1,0,0,0,0|1,0,0]=2 158 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|1,0,0]=2 159 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [0,1,0,0,0,0|1,0,0]=2 160 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|2,0,0]=3 161 B11R0.40 CCCCOCCNC(=O)CO WXVL_AK9674SB2706 [0,1,0,0,0,0|2,0,0]=3 162 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,0]=2 163 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [0,1,0,0,0,0|1,0,0]=2 164 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,0]=2 165 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [0,1,0,0,0,0|1,0,0]=2 166 B11R0.40 COCCOCCNC(=O)CO WXVL_AK2206SB2706 [0,1,0,0,0,0|3,0,0]=4 167 B11R0.40 COCCOCCNC(=O)CO WXVL_AK2206SB2706 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|2,0,0]=3 169 B11R0.40 O=C(CO)NCCCCCCO WXVL_AK0751SB2706 [0,1,0,0,0,0|2,0,0]=3 170 B11R0.42 C#CCCCCNC(=O)C(C)C WXVL_AK00614SB0052 [0,1,0,0,0,0|1,0,2]=4 171 B11R0.42 C#CCCCCNC(=O)C(C)C WXVL_AK00614SB0052 [0,1,0,0,0,0|1,0,2]=4 172 B11R0.42 C#CCCCCNC(=O)C(C)S WXVL_AK00614SB2708 [0,1,0,0,0,0|1,0,2]=4 173 B11R0.42 C#CCCCCNC(=O)C(C)S WXVL_AK00614SB2708 [0,1,0,0,0,0|1,0,2]=4 174 B11R0.42 C#CCCCCNC(=O)[C@@H](C)O WXVL_AK00614SB1085 [0,1,0,0,0,0|1,0,2]=4 175 B11R0.42 C#CCCCCNC(=O)[C@@H](C)O WXVL_AK00614SB1085 [0,1,0,0,0,0|1,0,2]=4 176 B11R0.42 C=C(F)C(=O)NCCCCCC WXVL_AK0286SB1376 [0,1,0,0,0,0|1,0,2]=4 177 B11R0.42 C=C(F)C(=O)NCCCCCC WXVL_AK0286SB1376 [0,1,0,0,0,0|1,0,2]=4 178 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.42 CC(=O)C(=O)NCCCCCO WXVL_AK0077SB0051 [0,1,0,0,0,0|2,0,1]=4 180 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [0,1,0,0,0,0|2,0,0]=3 181 B11R0.42 CC(C)C(=O)NCCCCCO WXVL_AK0077SB0052 [0,1,0,0,0,0|2,0,0]=3 182 B11R0.42 CC(C)C(=O)NCCNCCO WXVL_AK0954SB0052 [0,1,0,0,0,0|3,0,0]=4 183 B11R0.42 CC(C)C(=O)NCCNCCO WXVL_AK0954SB0052 [0,1,0,0,0,0|3,0,0]=4 184 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.42 CC(S)C(=O)NCCCCCO WXVL_AK0077SB2708 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.42 CC(S)C(=O)NCCNCCO WXVL_AK0954SB2708 [0,1,0,0,0,0|3,0,0]=4 187 B11R0.42 CC(S)C(=O)NCCNCCO WXVL_AK0954SB2708 [0,1,0,0,0,0|3,0,0]=4 188 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|1,0,2]=4 189 B11R0.42 CCCCC/C=C/C(=O)N(C)C WXVL_AN0032SB3331 [0,1,0,0,0,0|1,0,2]=4 190 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|1,0,0]=2 191 B11R0.42 CCCCCCCC(=O)N(C)C WXVL_AN0032SB0393 [0,1,0,0,0,0|1,0,0]=2 192 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|1,0,1]=3 193 B11R0.42 CCCCCCNC(=O)C(=O)C WXVL_AK0286SB0051 [0,1,0,0,0,0|1,0,1]=3 194 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|2,0,1]=4 195 B11R0.42 CCCCCCNC(=O)C(=O)N WXVL_AK0286SB0128 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|1,0,0]=2 197 B11R0.42 CCCCCCNC(=O)C(C)C WXVL_AK0286SB0052 [0,1,0,0,0,0|1,0,0]=2 198 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|1,0,0]=2 199 B11R0.42 CCCCCCNC(=O)C(C)S WXVL_AK0286SB2708 [0,1,0,0,0,0|1,0,0]=2 200 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [0,1,0,0,0,0|2,0,0]=3 201 B11R0.42 CCCCCCNC(=O)C(F)F WXVL_AK0286SB0079 [0,1,0,0,0,0|2,0,0]=3 202 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|1,0,0]=2 203 B11R0.42 CCCCCCNC(=O)[C@@H](C)O WXVL_AK0286SB1085 [0,1,0,0,0,0|1,0,0]=2 204 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|2,0,1]=4 205 B11R0.42 CCOCCCNC(=O)C(=O)C WXVL_AK0072SB0051 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [0,1,0,0,0,0|2,0,0]=3 207 B11R0.42 CCOCCCNC(=O)C(C)C WXVL_AK0072SB0052 [0,1,0,0,0,0|2,0,0]=3 208 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [0,1,0,0,0,0|2,0,0]=3 209 B11R0.42 CCOCCCNC(=O)C(C)S WXVL_AK0072SB2708 [0,1,0,0,0,0|2,0,0]=3 210 B11R0.42 CCOCCCNC(=O)C(F)F WXVL_AK0072SB0079 [0,1,0,0,0,0|3,0,0]=4 211 B11R0.42 CCOCCCNC(=O)C(F)F WXVL_AK0072SB0079 [0,1,0,0,0,0|3,0,0]=4 212 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,1,0,0,0,0|2,0,0]=3 213 B11R0.42 CCOCCCNC(=O)[C@@H](C)O WXVL_AK0072SB1085 [0,1,0,0,0,0|2,0,0]=3 214 B11R0.42 CN(C)C(=O)CCCCCCBr WXVL_AN0032SB1386 [0,1,0,0,0,0|2,0,0]=3 215 B11R0.42 CN(C)C(=O)CCCCCCBr WXVL_AN0032SB1386 [0,1,0,0,0,0|2,0,0]=3 216 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [0,1,0,0,0,0|2,0,0]=3 217 B11R0.42 C[C@@H](O)C(=O)NCCCCCO WXVL_AK0077SB1085 [0,1,0,0,0,0|2,0,0]=3 218 B11R0.42 C[C@@H](O)C(=O)NCCNCCO WXVL_AK0954SB1085 [0,1,0,0,0,0|3,0,0]=4 219 B11R0.42 C[C@@H](O)C(=O)NCCNCCO WXVL_AK0954SB1085 [0,1,0,0,0,0|3,0,0]=4 220 B11R0.42 O=C(NCCCCCO)C(F)F WXVL_AK0077SB0079 [0,1,0,0,0,0|3,0,0]=4 221 B11R0.42 O=C(NCCCCCO)C(F)F WXVL_AK0077SB0079 [0,1,0,0,0,0|3,0,0]=4 222 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [0,1,0,0,0,0|2,0,0]=3 223 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [0,1,0,0,0,0|2,0,0]=3 224 B11R0.49 CCOCCCNS(=O)(=O)CC WXVL_AK0072HU0028 [0,1,0,0,0,0|3,0,0]=4 225 B11R0.49 CCOCCCNS(=O)(=O)CC WXVL_AK0072HU0028 [0,1,0,0,0,0|3,0,0]=4 226 B11R0.49 CCS(=O)(=O)NCCCCCO WXVL_AK0077HU0028 [0,1,0,0,0,0|3,0,0]=4 227 B11R0.49 CCS(=O)(=O)NCCCCCO WXVL_AK0077HU0028 [0,1,0,0,0,0|3,0,0]=4 228 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [0,1,0,0,0,0|1,0,0]=2 229 B11R0.70 CCCCC(C)CCC(=O)NC WXVL_AK00442SB1315 [0,1,0,0,0,0|1,0,0]=2 230 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [0,1,0,0,0,0|2,0,1]=4 231 B11R0.70 CCCNC(=O)CCC(=O)OC WXVL_AK00504SB0069 [0,1,0,0,0,0|2,0,1]=4 232 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,1,0,0,0,0|2,0,1]=4 233 B11R0.106 CCC(=O)NCCCC(=O)OC WXVL_AK00444SB0064 [0,1,0,0,0,0|2,0,1]=4 234 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [0,1,0,0,0,0|2,0,1]=4 235 B11R0.106 CNC(=O)CCCCC(=O)OC WXVL_AK00442SB1209 [0,1,0,0,0,0|2,0,1]=4 236 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [0,1,0,0,0,0|2,0,0]=3 237 B11R0.111 CCC(=O)NCCCCN(C)C WXVL_AK0097SB0064 [0,1,0,0,0,0|2,0,0]=3 238 B11R0.111 CN(C)CCCCNC(=O)CO WXVL_AK0097SB2706 [0,1,0,0,0,0|3,0,0]=4 239 B11R0.111 CN(C)CCCCNC(=O)CO WXVL_AK0097SB2706 [0,1,0,0,0,0|3,0,0]=4 240 B11R0.142 C=CCCCCN(C)C(=O)CC WXVL_AN4222SB0064 [0,1,0,0,0,0|1,0,2]=4 241 B11R0.142 C=CCCCCN(C)C(=O)CC WXVL_AN4222SB0064 [0,1,0,0,0,0|1,0,2]=4 242 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|2,0,1]=4 243 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|2,0,1]=4 244 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|2,0,1]=4 245 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|2,0,1]=4 246 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|2,0,1]=4 247 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|2,0,1]=4 248 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|1,0,1]=3 249 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|1,0,1]=3 250 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|2,0,1]=4 251 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|2,0,1]=4 252 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [0,1,0,0,0,0|2,0,1]=4 253 B11R0.154 CCCCNC(=O)CC(=O)OC WXVL_AK00588SB2790 [0,1,0,0,0,0|2,0,1]=4 254 B11R0.174 CCC(=O)NCCN(C)CCN WXVL_AK4182SB0064 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.174 CCC(=O)NCCN(C)CCN WXVL_AK4182SB0064 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,1,0,0,0,0|2,0,1]=4 257 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.25 C#CC(=O)NCC1CCCC1 WXVL_AK0303SB0338 [0,0,0,1,0,0|1,0,2]=4 259 B11R1.25 C#CC(=O)NCC1CCCC1 WXVL_AK0303SB0338 [0,0,0,1,0,0|1,0,2]=4 260 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|1,0,0]=2 261 B11R1.25 CCC(=O)NCC1CCCC1 WXVL_AK0303SB0064 [0,0,0,1,0,0|1,0,0]=2 262 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [0,0,0,1,0,0|2,0,0]=3 263 B11R1.25 CCC(=O)NCC1CCOC1 WXVL_AK00634SB0064 [0,0,0,1,0,0|2,0,0]=3 264 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [0,0,0,1,0,0|2,0,0]=3 265 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0064 [0,0,0,1,0,0|2,0,0]=3 266 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [0,0,0,1,0,0|2,0,0]=3 267 B11R1.25 CCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0064 [0,0,0,1,0,0|2,0,0]=3 268 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [0,0,0,1,0,0|1,0,2]=4 269 B11R1.25 CNC(=O)/C=C/C1CCCC1 WXVL_AK00442SB5314 [0,0,0,1,0,0|1,0,2]=4 270 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [0,0,0,1,0,0|1,0,0]=2 271 B11R1.25 CNC(=O)CCC1CCCC1 WXVL_AK00442SB0045 [0,0,0,1,0,0|1,0,0]=2 272 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [0,0,0,1,0,0|2,0,0]=3 273 B11R1.25 CNC(=O)CCN1CCCC1 WXVL_AK00442SB0766 [0,0,0,1,0,0|2,0,0]=3 274 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [0,0,0,1,0,0|2,0,0]=3 275 B11R1.25 CNC(=O)COC1CCCC1 WXVL_AK00442SB0754 [0,0,0,1,0,0|2,0,0]=3 276 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [0,0,0,1,0,0|2,0,0]=3 277 B11R1.25 O=C(CO)NCC1CCCC1 WXVL_AK0303SB2706 [0,0,0,1,0,0|2,0,0]=3 278 B11R1.25 O=C(CO)NCC1CCOC1 WXVL_AK00634SB2706 [0,0,0,1,0,0|3,0,0]=4 279 B11R1.25 O=C(CO)NCC1CCOC1 WXVL_AK00634SB2706 [0,0,0,1,0,0|3,0,0]=4 280 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 WXVL_AK00754SB2706 [0,0,0,1,0,0|3,0,0]=4 281 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 WXVL_AK00754SB2706 [0,0,0,1,0,0|3,0,0]=4 282 B11R1.25 O=C(CO)NC[C@H]1CCOC1 WXVL_AK2110SB2706 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.25 O=C(CO)NC[C@H]1CCOC1 WXVL_AK2110SB2706 [0,0,0,1,0,0|3,0,0]=4 284 B11R1.40 C#CC(=O)NC1CCCCC1 WXVL_AK00480SB0338 [0,0,0,1,0,0|1,0,2]=4 285 B11R1.40 C#CC(=O)NC1CCCCC1 WXVL_AK00480SB0338 [0,0,0,1,0,0|1,0,2]=4 286 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|1,0,0]=2 287 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [0,0,0,1,0,0|1,0,0]=2 288 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [0,0,0,1,0,0|2,0,0]=3 289 B11R1.40 CCC(=O)NC1CCCOC1 WXVL_AK1073SB0064 [0,0,0,1,0,0|2,0,0]=3 290 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [0,0,0,1,0,0|2,0,0]=3 291 B11R1.40 CNC(=O)CC1CCCCO1 WXVL_AK00442SB1464 [0,0,0,1,0,0|2,0,0]=3 292 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [0,0,0,1,0,0|2,0,0]=3 293 B11R1.40 CNC(=O)CC1CCOCC1 WXVL_AK00442SB0194 [0,0,0,1,0,0|2,0,0]=3 294 B11R1.40 CNC(=O)CC1COCCO1 WXVL_AK00442SB2988 [0,0,0,1,0,0|3,0,0]=4 295 B11R1.40 CNC(=O)CC1COCCO1 WXVL_AK00442SB2988 [0,0,0,1,0,0|3,0,0]=4 296 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [0,0,0,1,0,0|2,0,0]=3 297 B11R1.40 CNC(=O)CN1CCCCC1 WXVL_AK00442SB0186 [0,0,0,1,0,0|2,0,0]=3 298 B11R1.40 CNC(=O)CN1CCOCC1 WXVL_AK00442SB0188 [0,0,0,1,0,0|3,0,0]=4 299 B11R1.40 CNC(=O)CN1CCOCC1 WXVL_AK00442SB0188 [0,0,0,1,0,0|3,0,0]=4 300 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [0,0,0,1,0,0|2,0,0]=3 301 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [0,0,0,1,0,0|2,0,0]=3 302 B11R1.40 O=C(CO)NC1CCCOC1 WXVL_AK1073SB2706 [0,0,0,1,0,0|3,0,0]=4 303 B11R1.40 O=C(CO)NC1CCCOC1 WXVL_AK1073SB2706 [0,0,0,1,0,0|3,0,0]=4 304 B11R1.59 CCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0064 [0,0,0,1,0,0|2,0,0]=3 305 B11R1.59 O=C(CO)N1CCC[C@H]1CO WXVL_AN0917SB2706 [0,0,0,1,0,0|3,0,0]=4 306 B11R1.222 C#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0338 [0,0,0,1,0,0|1,0,2]=4 307 B11R1.222 CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0064 [0,0,0,1,0,0|1,0,0]=2 308 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [0,0,0,1,0,0|2,0,0]=3 309 B11R1.222 CCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0064 [0,0,0,1,0,0|2,0,0]=3 310 B11R1.222 CCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0064 [0,0,0,1,0,0|2,0,0]=3 311 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [0,0,0,1,0,0|2,0,0]=3 312 B11R1.222 CNC(=O)[C@H]1CCCCN1C WXVL_AK00442SB4055 [0,0,0,1,0,0|2,0,0]=3 313 B11R1.222 C[C@@H]1COCCN1C(=O)CO WXVL_AN00562SB2706 [0,0,0,1,0,0|3,0,0]=4 314 B11R1.222 C[C@H]1CCCCN1C(=O)CO WXVL_AN00851SB2706 [0,0,0,1,0,0|2,0,0]=3 315 B11R1.222 C[C@H]1COCCN1C(=O)CO WXVL_AN00472SB2706 [0,0,0,1,0,0|3,0,0]=4 316 B11R1.222 C[C@H]1COCCN1C(=O)CO WXVL_AN00472SB2706 [0,0,0,1,0,0|3,0,0]=4 317 B11R1.228 CCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0064 [0,0,0,1,0,0|3,0,0]=4 318 B11R1.228 CCC(=O)N[C@@H]1COC[C@H]1O WXVL_AK0348SB0064 [0,0,0,1,0,0|3,0,0]=4 319 B11R1.236 C#CC(=O)NCCC1CCC1 WXVL_AK2418SB0338 [0,0,0,1,0,0|1,0,2]=4 320 B11R1.236 C#CC(=O)NCCC1CCC1 WXVL_AK2418SB0338 [0,0,0,1,0,0|1,0,2]=4 321 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|1,0,0]=2 322 B11R1.236 CCC(=O)NCCC1CCC1 WXVL_AK2418SB0064 [0,0,0,1,0,0|1,0,0]=2 323 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [0,0,0,1,0,0|2,0,0]=3 324 B11R1.236 O=C(CO)NCCC1CCC1 WXVL_AK2418SB2706 [0,0,0,1,0,0|2,0,0]=3 325 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [0,0,0,1,0,0|2,0,0]=3 326 B11R1.852 CCC(=O)N1CCCOCC1 WXVL_AN00350SB0064 [0,0,0,1,0,0|2,0,0]=3 327 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [0,0,0,1,0,0|1,0,0]=2 328 B11R1.852 CNC(=O)C1CCCCCC1 WXVL_AK00442SB0385 [0,0,0,1,0,0|1,0,0]=2 329 B11R1.852 O=C(CO)N1CCCOCC1 WXVL_AN00350SB2706 [0,0,0,1,0,0|3,0,0]=4 330 B11R1.852 O=C(CO)N1CCCOCC1 WXVL_AN00350SB2706 [0,0,0,1,0,0|3,0,0]=4 331 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 332 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 333 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 334 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 335 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 336 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 337 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 338 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 339 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 340 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 341 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 342 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 343 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 344 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 345 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 346 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 347 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 348 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 349 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 350 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 351 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 352 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 353 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 354 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 355 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 356 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 357 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,0]=3 358 B10R0.4 CC(=O)NCCCCCCO WXVL_AK0751SB0150 [1,1,0,0,0,0|1,0,0]=3 359 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,1,0,0,0,0|1,0,0]=3 360 B10R0.4 CCCCCCCCC(=O)N WXVL_AK0084SB0409 [1,1,0,0,0,0|1,0,0]=3 361 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,1,0,0,0,0|1,0,0]=3 362 B10R0.4 CCCCOCCNC(=O)C WXVL_AK9674SB0150 [1,1,0,0,0,0|1,0,0]=3 363 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,1,0,0,0,0|2,0,0]=4 364 B10R0.4 COCCOCCNC(=O)C WXVL_AK2206SB0150 [1,1,0,0,0,0|2,0,0]=4 365 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,1,0,0,0,0|1,0,0]=3 366 B10R0.4 NC(=O)CCCCCCCBr WXVL_AK0084SB0559 [1,1,0,0,0,0|1,0,0]=3 367 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,1,0,0,0,0|1,0,0]=3 368 B10R0.4 NC(=O)CCCCCCCO WXVL_AK0084SB1306 [1,1,0,0,0,0|1,0,0]=3 369 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 370 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 371 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,0]=3 372 B10R0.78 CCCCC(C)CCC(=O)N WXVL_AK0084SB1315 [1,1,0,0,0,0|1,0,0]=3 373 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 374 B10R0.78 CCCNC(=O)CCC(=O)C WXVL_AK00504SB0072 [1,1,0,0,0,0|1,0,1]=4 375 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 376 B10R0.97 CC(=O)NCCCCN(C)C WXVL_AK0097SB0150 [1,1,0,0,0,0|2,0,0]=4 377 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 378 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 379 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [1,1,0,0,0,0|2,0,0]=4 380 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [1,1,0,0,0,0|2,0,0]=4 381 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,1,0,0,0,0|1,0,0]=3 382 B10R0.83 CCCCCC(C)C(=O)NC WXVL_AK00442SB0394 [1,1,0,0,0,0|1,0,0]=3 383 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|1,0,1]=4 384 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|1,0,1]=4 385 B12R0.1 C#CCC(=O)NCCCCCCO WXVL_AK0751SB3070 [0,2,0,0,0,0|1,0,1]=4 386 B12R0.1 C#CCC(=O)NCCCCCCO WXVL_AK0751SB3070 [0,2,0,0,0,0|1,0,1]=4 387 B12R0.1 C#CCC(=O)NCCOCCCC WXVL_AK9674SB3070 [0,2,0,0,0,0|1,0,1]=4 388 B12R0.1 C#CCC(=O)NCCOCCCC WXVL_AK9674SB3070 [0,2,0,0,0,0|1,0,1]=4 389 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|1,0,1]=4 390 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|1,0,1]=4 391 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|1,0,1]=4 392 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|1,0,1]=4 393 B12R0.1 C=CCC(=O)NCCCCCCO WXVL_AK0751SB2732 [0,2,0,0,0,0|1,0,1]=4 394 B12R0.1 C=CCC(=O)NCCCCCCO WXVL_AK0751SB2732 [0,2,0,0,0,0|1,0,1]=4 395 B12R0.1 C=CCC(=O)NCCOCCCC WXVL_AK9674SB2732 [0,2,0,0,0,0|1,0,1]=4 396 B12R0.1 C=CCC(=O)NCCOCCCC WXVL_AK9674SB2732 [0,2,0,0,0,0|1,0,1]=4 397 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|1,0,1]=4 398 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|1,0,1]=4 399 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|1,0,1]=4 400 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|1,0,1]=4 401 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|1,0,0]=3 402 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|1,0,0]=3 403 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,2,0,0,0,0|2,0,0]=4 404 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,2,0,0,0,0|2,0,0]=4 405 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|0,0,0]=2 406 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|0,0,0]=2 407 B12R0.1 CCCCOCCNC(=O)CC#N WXVL_AK9674SB0057 [0,2,0,0,0,0|1,0,1]=4 408 B12R0.1 CCCCOCCNC(=O)CC#N WXVL_AK9674SB0057 [0,2,0,0,0,0|1,0,1]=4 409 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|1,0,0]=3 410 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|1,0,0]=3 411 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|1,0,0]=3 412 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|1,0,0]=3 413 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|1,0,0]=3 414 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|1,0,0]=3 415 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|0,0,0]=2 416 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|0,0,0]=2 417 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|0,0,0]=2 418 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|0,0,0]=2 419 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|1,0,0]=3 420 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|1,0,0]=3 421 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,2,0,0,0,0|2,0,0]=4 422 B12R0.1 COCCOCCNC(=O)COC WXVL_AK2206SB0090 [0,2,0,0,0,0|2,0,0]=4 423 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,2,0,0,0,0|2,0,0]=4 424 B12R0.1 COCCOCCNC(=O)CSC WXVL_AK2206SB1267 [0,2,0,0,0,0|2,0,0]=4 425 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|1,0,0]=3 426 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|1,0,0]=3 427 B12R0.1 N#CCC(=O)NCCCCCCO WXVL_AK0751SB0057 [0,2,0,0,0,0|1,0,1]=4 428 B12R0.1 N#CCC(=O)NCCCCCCO WXVL_AK0751SB0057 [0,2,0,0,0,0|1,0,1]=4 429 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,2,0,0,0,0|2,0,0]=4 430 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,2,0,0,0,0|2,0,0]=4 431 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|1,0,0]=3 432 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|1,0,0]=3 433 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,2,0,0,0,0|2,0,0]=4 434 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,2,0,0,0,0|2,0,0]=4 435 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|0,0,2]=4 436 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|0,0,2]=4 437 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|0,0,0]=2 438 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|0,0,0]=2 439 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|1,0,1]=4 440 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|1,0,1]=4 441 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|1,0,0]=3 442 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|1,0,0]=3 443 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|1,0,0]=3 444 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|1,0,0]=3 445 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|1,0,0]=3 446 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|1,0,0]=3 447 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,2,0,0,0,0|2,0,0]=4 448 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,2,0,0,0,0|2,0,0]=4 449 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,2,0,0,0,0|2,0,0]=4 450 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,2,0,0,0,0|2,0,0]=4 451 B12R0.4 CCOCCCNC(=O)CN(C)C WXVL_AK0072SB0085 [0,2,0,0,0,0|2,0,0]=4 452 B12R0.4 CCOCCCNC(=O)CN(C)C WXVL_AK0072SB0085 [0,2,0,0,0,0|2,0,0]=4 453 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,2,0,0,0,0|2,0,0]=4 454 B12R0.4 CN(C)CC(=O)NCCCCCO WXVL_AK0077SB0085 [0,2,0,0,0,0|2,0,0]=4 455 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|1,0,1]=4 456 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|1,0,1]=4 457 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|1,0,1]=4 458 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|1,0,1]=4 459 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,2,0,0,0,0|2,0,0]=4 460 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,2,0,0,0,0|2,0,0]=4 461 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|0,0,1]=3 462 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|0,0,1]=3 463 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|1,0,0]=3 464 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|1,0,0]=3 465 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|1,0,0]=3 466 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|1,0,0]=3 467 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|1,0,0]=3 468 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|1,0,0]=3 469 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|1,0,0]=3 470 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|1,0,0]=3 471 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|1,0,1]=4 472 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|1,0,1]=4 473 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,2,0,0,0,0|2,0,0]=4 474 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,2,0,0,0,0|2,0,0]=4 475 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,2,0,0,0,0|2,0,0]=4 476 B12R0.49 CCOCCCNC(=O)[C@@H](C)OC WXVL_AK0072SB2926 [0,2,0,0,0,0|2,0,0]=4 477 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,2,0,0,0,0|2,0,0]=4 478 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,2,0,0,0,0|2,0,0]=4 479 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,2,0,0,0,0|2,0,0]=4 480 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,2,0,0,0,0|2,0,0]=4 481 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,2,0,0,0,0|2,0,0]=4 482 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,2,0,0,0,0|2,0,0]=4 483 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,2,0,0,0,0|2,0,0]=4 484 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,2,0,0,0,0|2,0,0]=4 485 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,2,0,0,0,0|2,0,0]=4 486 B12R0.49 CO[C@H](C)C(=O)NCCCCCO WXVL_AK0077SB2926 [0,2,0,0,0,0|2,0,0]=4 487 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|0,0,0]=2 488 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|0,0,0]=2 489 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,1]=4 490 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|1,0,1]=4 491 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|1,0,0]=3 492 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|1,0,0]=3 493 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,2,0,0,0,0|2,0,0]=4 494 B12R0.206 C#CCCC(=O)NCCCCCO WXVL_AK0077SB2189 [0,2,0,0,0,0|2,0,0]=4 495 B12R0.206 C#CCCC(=O)NCCCOCC WXVL_AK0072SB2189 [0,2,0,0,0,0|2,0,0]=4 496 B12R0.206 C#CCCC(=O)NCCCOCC WXVL_AK0072SB2189 [0,2,0,0,0,0|2,0,0]=4 497 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|1,0,0]=3 498 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|1,0,0]=3 499 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,2,0,0,0,0|2,0,0]=4 500 B12R0.206 C=CCCC(=O)NCCCCCO WXVL_AK0077SB1035 [0,2,0,0,0,0|2,0,0]=4 501 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,2,0,0,0,0|2,0,0]=4 502 B12R0.206 C=CCCC(=O)NCCCOCC WXVL_AK0072SB1035 [0,2,0,0,0,0|2,0,0]=4 503 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,2,0,0,0,0|1,0,1]=4 504 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,2,0,0,0,0|1,0,1]=4 505 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,2,0,0,0,0|0,0,1]=3 506 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,2,0,0,0,0|0,0,1]=3 507 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|0,0,2]=4 508 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|0,0,2]=4 509 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|0,0,2]=4 510 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|0,0,2]=4 511 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,2,0,0,0,0|0,0,1]=3 512 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,2,0,0,0,0|0,0,1]=3 513 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|0,0,0]=2 514 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|0,0,0]=2 515 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|0,0,0]=2 516 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|0,0,0]=2 517 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,2,0,0,0,0|1,0,1]=4 518 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,2,0,0,0,0|1,0,1]=4 519 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 520 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 521 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,0,0]=3 522 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,0,0]=3 523 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,0]=3 524 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|1,0,0]=3 525 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|1,0,0]=3 526 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|1,0,0]=3 527 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|1,0,0]=3 528 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|1,0,0]=3 529 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 530 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 531 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|2,0,0]=4 532 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|2,0,0]=4 533 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 534 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 535 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|2,0,0]=4 536 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|2,0,0]=4 537 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|2,0,0]=4 538 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|2,0,0]=4 539 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|2,0,0]=4 540 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|2,0,0]=4 541 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 542 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 543 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|2,0,0]=4 544 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|2,0,0]=4 545 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 546 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 547 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|2,0,0]=4 548 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|2,0,0]=4 549 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,2,0,0,0,0|1,0,1]=4 550 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,2,0,0,0,0|1,0,1]=4 551 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|1,0,0]=3 552 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|1,0,0]=3 553 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 554 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 555 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|1,0,1]=4 556 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|1,0,1]=4 557 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,2,0,0,0,0|1,0,1]=4 558 B12R0.276 CCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0073 [0,2,0,0,0,0|1,0,1]=4 559 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,2,0,0,0,0|1,0,1]=4 560 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,2,0,0,0,0|1,0,1]=4 561 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,2,0,0,0,0|2,0,0]=4 562 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,2,0,0,0,0|2,0,0]=4 563 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,2,0,0,0,0|2,0,0]=4 564 B12R0.277 COCC(=O)NCCCCN(C)C WXVL_AK0097SB0090 [0,2,0,0,0,0|2,0,0]=4 565 B12R0.277 CSCC(=O)NCCCCN(C)C WXVL_AK0097SB1267 [0,2,0,0,0,0|2,0,0]=4 566 B12R0.277 CSCC(=O)NCCCCN(C)C WXVL_AK0097SB1267 [0,2,0,0,0,0|2,0,0]=4 567 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|1,0,1]=4 568 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|1,0,1]=4 569 B12R0.434 CCCCCCNS(=O)(=O)CCBr WXVL_AK0286HU0461 [0,2,0,0,0,0|2,0,0]=4 570 B12R0.434 CCCCCCNS(=O)(=O)CCBr WXVL_AK0286HU0461 [0,2,0,0,0,0|2,0,0]=4 571 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,2,0,0,0,0|2,0,0]=4 572 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,2,0,0,0,0|2,0,0]=4 573 B12R0.434 CCCCCCNS(=O)(=O)CCCl WXVL_AK0286HU0029 [0,2,0,0,0,0|2,0,0]=4 574 B12R0.434 CCCCCCNS(=O)(=O)CCCl WXVL_AK0286HU0029 [0,2,0,0,0,0|2,0,0]=4 575 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|1,0,1]=4 576 B12R0.113 CCCCCNC(=O)CC(=O)OC WXVL_AK0076SB2790 [0,2,0,0,0,0|1,0,1]=4 577 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,2,0,0,0,0|1,0,1]=4 578 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,2,0,0,0,0|1,0,1]=4 579 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,2,0,0,0,0|1,0,0]=3 580 B12R0.184 CCC(=O)NCCCCCN(C)C WXVL_AK0956SB0064 [0,2,0,0,0,0|1,0,0]=3 581 B12R0.184 CN(C)CCCCCNC(=O)CO WXVL_AK0956SB2706 [0,2,0,0,0,0|2,0,0]=4 582 B12R0.184 CN(C)CCCCCNC(=O)CO WXVL_AK0956SB2706 [0,2,0,0,0,0|2,0,0]=4 583 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,2,0,0,0,0|1,0,1]=4 584 B12R0.184 COC(=O)CCCCCCC(=O)N WXVL_AK0084SB3124 [0,2,0,0,0,0|1,0,1]=4 585 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,2,0,0,0,0|1,0,1]=4 586 B12R0.184 COC(=O)CCCCCNC(=O)C WXVL_AK00438SB0150 [0,2,0,0,0,0|1,0,1]=4 587 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,2,0,0,0,0|0,0,2]=4 588 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,2,0,0,0,0|0,0,2]=4 589 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,2,0,0,0,0|0,0,2]=4 590 B12R0.248 C#CC(=O)NCCCOCCCC WXVL_AK2310SB0338 [0,2,0,0,0,0|0,0,2]=4 591 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|1,0,0]=3 592 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,2,0,0,0,0|1,0,0]=3 593 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|0,0,0]=2 594 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,2,0,0,0,0|0,0,0]=2 595 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|1,0,0]=3 596 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,2,0,0,0,0|1,0,0]=3 597 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|1,0,0]=3 598 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,2,0,0,0,0|1,0,0]=3 599 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|0,0,0]=2 600 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,2,0,0,0,0|0,0,0]=2 601 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|1,0,0]=3 602 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,2,0,0,0,0|1,0,0]=3 603 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|1,0,1]=4 604 B12R0.251 CC(=O)C(=O)NCCCCCCO WXVL_AK0751SB0051 [0,2,0,0,0,0|1,0,1]=4 605 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,2,0,0,0,0|1,0,0]=3 606 B12R0.251 CC(C)C(=O)NCCCCCCO WXVL_AK0751SB0052 [0,2,0,0,0,0|1,0,0]=3 607 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,2,0,0,0,0|1,0,0]=3 608 B12R0.251 CC(S)C(=O)NCCCCCCO WXVL_AK0751SB2708 [0,2,0,0,0,0|1,0,0]=3 609 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|1,0,0]=3 610 B12R0.251 CCCCCCCCC(=O)N(C)C WXVL_AN0032SB0409 [0,2,0,0,0,0|1,0,0]=3 611 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|1,0,1]=4 612 B12R0.251 CCCCOCCNC(=O)C(=O)C WXVL_AK9674SB0051 [0,2,0,0,0,0|1,0,1]=4 613 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,2,0,0,0,0|1,0,0]=3 614 B12R0.251 CCCCOCCNC(=O)C(C)C WXVL_AK9674SB0052 [0,2,0,0,0,0|1,0,0]=3 615 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,2,0,0,0,0|1,0,0]=3 616 B12R0.251 CCCCOCCNC(=O)C(C)S WXVL_AK9674SB2708 [0,2,0,0,0,0|1,0,0]=3 617 B12R0.251 CCCCOCCNC(=O)C(F)F WXVL_AK9674SB0079 [0,2,0,0,0,0|2,0,0]=4 618 B12R0.251 CCCCOCCNC(=O)C(F)F WXVL_AK9674SB0079 [0,2,0,0,0,0|2,0,0]=4 619 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,2,0,0,0,0|1,0,0]=3 620 B12R0.251 CCCCOCCNC(=O)[C@@H](C)O WXVL_AK9674SB1085 [0,2,0,0,0,0|1,0,0]=3 621 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,2,0,0,0,0|1,0,0]=3 622 B12R0.251 CN(C)C(=O)CCCCCCCBr WXVL_AN0032SB0559 [0,2,0,0,0,0|1,0,0]=3 623 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,2,0,0,0,0|1,0,0]=3 624 B12R0.251 CN(C)C(=O)CCCCCCCO WXVL_AN0032SB1306 [0,2,0,0,0,0|1,0,0]=3 625 B12R0.251 COCCOCCNC(=O)C(C)C WXVL_AK2206SB0052 [0,2,0,0,0,0|2,0,0]=4 626 B12R0.251 COCCOCCNC(=O)C(C)C WXVL_AK2206SB0052 [0,2,0,0,0,0|2,0,0]=4 627 B12R0.251 COCCOCCNC(=O)C(C)S WXVL_AK2206SB2708 [0,2,0,0,0,0|2,0,0]=4 628 B12R0.251 COCCOCCNC(=O)C(C)S WXVL_AK2206SB2708 [0,2,0,0,0,0|2,0,0]=4 629 B12R0.251 COCCOCCNC(=O)[C@@H](C)O WXVL_AK2206SB1085 [0,2,0,0,0,0|2,0,0]=4 630 B12R0.251 COCCOCCNC(=O)[C@@H](C)O WXVL_AK2206SB1085 [0,2,0,0,0,0|2,0,0]=4 631 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,2,0,0,0,0|1,0,0]=3 632 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO WXVL_AK0751SB1085 [0,2,0,0,0,0|1,0,0]=3 633 B12R0.251 O=C(NCCCCCCO)C(F)F WXVL_AK0751SB0079 [0,2,0,0,0,0|2,0,0]=4 634 B12R0.251 O=C(NCCCCCCO)C(F)F WXVL_AK0751SB0079 [0,2,0,0,0,0|2,0,0]=4 635 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,2,0,0,0,0|2,0,0]=4 636 B12R0.312 CCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0331 [0,2,0,0,0,0|2,0,0]=4 637 B12R0.312 CCCCOCCNS(=O)(=O)CC WXVL_AK9674HU0028 [0,2,0,0,0,0|2,0,0]=4 638 B12R0.312 CCCCOCCNS(=O)(=O)CC WXVL_AK9674HU0028 [0,2,0,0,0,0|2,0,0]=4 639 B12R0.312 CCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0028 [0,2,0,0,0,0|2,0,0]=4 640 B12R0.312 CCS(=O)(=O)NCCCCCCO WXVL_AK0751HU0028 [0,2,0,0,0,0|2,0,0]=4 641 B12R0.42 CC(C)C(=O)NCCCCN(C)C WXVL_AK0097SB0052 [0,2,0,0,0,0|2,0,0]=4 642 B12R0.42 CC(C)C(=O)NCCCCN(C)C WXVL_AK0097SB0052 [0,2,0,0,0,0|2,0,0]=4 643 B12R0.42 CC(S)C(=O)NCCCCN(C)C WXVL_AK0097SB2708 [0,2,0,0,0,0|2,0,0]=4 644 B12R0.42 CC(S)C(=O)NCCCCN(C)C WXVL_AK0097SB2708 [0,2,0,0,0,0|2,0,0]=4 645 B12R0.42 C[C@@H](O)C(=O)NCCCCN(C)C WXVL_AK0097SB1085 [0,2,0,0,0,0|2,0,0]=4 646 B12R0.42 C[C@@H](O)C(=O)NCCCCN(C)C WXVL_AK0097SB1085 [0,2,0,0,0,0|2,0,0]=4 647 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|1,0,1]=4 648 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|1,0,1]=4 649 B12R0.48 CCCCC(C)CCC(=O)N(C)C WXVL_AN0032SB1315 [0,2,0,0,0,0|1,0,0]=3 650 B12R0.48 CCCCC(C)CCC(=O)N(C)C WXVL_AN0032SB1315 [0,2,0,0,0,0|1,0,0]=3 651 B12R0.58 CCCCCCNS(=O)(=O)C(C)C WXVL_AK0286HU0023 [0,2,0,0,0,0|2,0,0]=4 652 B12R0.58 CCCCCCNS(=O)(=O)C(C)C WXVL_AK0286HU0023 [0,2,0,0,0,0|2,0,0]=4 653 B12R0.237 CC(C)(Br)C(=O)NCCCCCO WXVL_AK0077SB0432 [0,2,0,0,0,0|2,0,0]=4 654 B12R0.237 CC(C)(Br)C(=O)NCCCCCO WXVL_AK0077SB0432 [0,2,0,0,0,0|2,0,0]=4 655 B12R0.237 CC(C)(C)C(=O)NCCCCCO WXVL_AK0077SB0078 [0,2,0,0,0,0|2,0,0]=4 656 B12R0.237 CC(C)(C)C(=O)NCCCCCO WXVL_AK0077SB0078 [0,2,0,0,0,0|2,0,0]=4 657 B12R0.237 CC(C)(F)C(=O)NCCCCCO WXVL_AK0077SB0199 [0,2,0,0,0,0|2,0,0]=4 658 B12R0.237 CC(C)(F)C(=O)NCCCCCO WXVL_AK0077SB0199 [0,2,0,0,0,0|2,0,0]=4 659 B12R0.237 CC(C)(O)C(=O)NCCCCCO WXVL_AK0077SB0125 [0,2,0,0,0,0|2,0,0]=4 660 B12R0.237 CC(C)(O)C(=O)NCCCCCO WXVL_AK0077SB0125 [0,2,0,0,0,0|2,0,0]=4 661 B12R0.237 CC(F)(F)C(=O)NCCCCCO WXVL_AK0077SB0197 [0,2,0,0,0,0|2,0,0]=4 662 B12R0.237 CC(F)(F)C(=O)NCCCCCO WXVL_AK0077SB0197 [0,2,0,0,0,0|2,0,0]=4 663 B12R0.237 CCCCCCNC(=O)C(C)(C)Br WXVL_AK0286SB0432 [0,2,0,0,0,0|1,0,0]=3 664 B12R0.237 CCCCCCNC(=O)C(C)(C)Br WXVL_AK0286SB0432 [0,2,0,0,0,0|1,0,0]=3 665 B12R0.237 CCCCCCNC(=O)C(C)(C)C WXVL_AK0286SB0078 [0,2,0,0,0,0|1,0,0]=3 666 B12R0.237 CCCCCCNC(=O)C(C)(C)C WXVL_AK0286SB0078 [0,2,0,0,0,0|1,0,0]=3 667 B12R0.237 CCCCCCNC(=O)C(C)(C)F WXVL_AK0286SB0199 [0,2,0,0,0,0|1,0,0]=3 668 B12R0.237 CCCCCCNC(=O)C(C)(C)F WXVL_AK0286SB0199 [0,2,0,0,0,0|1,0,0]=3 669 B12R0.237 CCCCCCNC(=O)C(C)(C)O WXVL_AK0286SB0125 [0,2,0,0,0,0|1,0,0]=3 670 B12R0.237 CCCCCCNC(=O)C(C)(C)O WXVL_AK0286SB0125 [0,2,0,0,0,0|1,0,0]=3 671 B12R0.237 CCCCCCNC(=O)C(C)(F)F WXVL_AK0286SB0197 [0,2,0,0,0,0|1,0,0]=3 672 B12R0.237 CCCCCCNC(=O)C(C)(F)F WXVL_AK0286SB0197 [0,2,0,0,0,0|1,0,0]=3 673 B12R0.237 CCCCCCNC(=O)C(Cl)(Cl)Cl WXVL_AK0286SB0416 [0,2,0,0,0,0|2,0,0]=4 674 B12R0.237 CCCCCCNC(=O)C(Cl)(Cl)Cl WXVL_AK0286SB0416 [0,2,0,0,0,0|2,0,0]=4 675 B12R0.237 CCCCCCNC(=O)C(F)(F)Cl WXVL_AK0286SB3129 [0,2,0,0,0,0|2,0,0]=4 676 B12R0.237 CCCCCCNC(=O)C(F)(F)Cl WXVL_AK0286SB3129 [0,2,0,0,0,0|2,0,0]=4 677 B12R0.237 CCOCCCNC(=O)C(C)(C)Br WXVL_AK0072SB0432 [0,2,0,0,0,0|2,0,0]=4 678 B12R0.237 CCOCCCNC(=O)C(C)(C)Br WXVL_AK0072SB0432 [0,2,0,0,0,0|2,0,0]=4 679 B12R0.237 CCOCCCNC(=O)C(C)(C)C WXVL_AK0072SB0078 [0,2,0,0,0,0|2,0,0]=4 680 B12R0.237 CCOCCCNC(=O)C(C)(C)C WXVL_AK0072SB0078 [0,2,0,0,0,0|2,0,0]=4 681 B12R0.237 CCOCCCNC(=O)C(C)(C)F WXVL_AK0072SB0199 [0,2,0,0,0,0|2,0,0]=4 682 B12R0.237 CCOCCCNC(=O)C(C)(C)F WXVL_AK0072SB0199 [0,2,0,0,0,0|2,0,0]=4 683 B12R0.237 CCOCCCNC(=O)C(C)(C)O WXVL_AK0072SB0125 [0,2,0,0,0,0|2,0,0]=4 684 B12R0.237 CCOCCCNC(=O)C(C)(C)O WXVL_AK0072SB0125 [0,2,0,0,0,0|2,0,0]=4 685 B12R0.237 CCOCCCNC(=O)C(C)(F)F WXVL_AK0072SB0197 [0,2,0,0,0,0|2,0,0]=4 686 B12R0.237 CCOCCCNC(=O)C(C)(F)F WXVL_AK0072SB0197 [0,2,0,0,0,0|2,0,0]=4 687 B12R0.240 CC(C)CCCC(C)NC(=O)CO WXVL_AK00574SB2706 [0,2,0,0,0,0|2,0,0]=4 688 B12R0.240 CC(C)CCCC(C)NC(=O)CO WXVL_AK00574SB2706 [0,2,0,0,0,0|2,0,0]=4 689 B12R0.240 CCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0064 [0,2,0,0,0,0|1,0,0]=3 690 B12R0.240 CCC(=O)NC(C)CCCC(C)C WXVL_AK00574SB0064 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 692 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,1,0,0|1,0,0]=3 693 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 694 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,1,0,0|2,0,0]=4 695 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [1,0,0,1,0,0|2,0,0]=4 696 B10R1.18 NC(=O)CC1CCCCO1 WXVL_AK0084SB1464 [1,0,0,1,0,0|2,0,0]=4 697 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [1,0,0,1,0,0|2,0,0]=4 698 B10R1.18 NC(=O)CC1CCOCC1 WXVL_AK0084SB0194 [1,0,0,1,0,0|2,0,0]=4 699 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [1,0,0,1,0,0|2,0,0]=4 700 B10R1.18 NC(=O)CN1CCCCC1 WXVL_AK0084SB0186 [1,0,0,1,0,0|2,0,0]=4 701 B10R1.39 CC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0150 [1,0,0,1,0,0|2,0,0]=4 702 B10R1.61 CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0150 [1,0,0,1,0,0|1,0,0]=3 703 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 704 B10R1.61 CC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0150 [1,0,0,1,0,0|2,0,0]=4 705 B10R1.61 CC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0150 [1,0,0,1,0,0|2,0,0]=4 706 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [1,0,0,1,0,0|2,0,0]=4 707 B10R1.61 CN1CCCC[C@@H]1C(=O)N WXVL_AK0084SB4055 [1,0,0,1,0,0|2,0,0]=4 708 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 709 B10R1.66 CC(=O)NCC1CCCC1 WXVL_AK0303SB0150 [1,0,0,1,0,0|1,0,0]=3 710 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 711 B10R1.66 CC(=O)NCC1CCOC1 WXVL_AK00634SB0150 [1,0,0,1,0,0|2,0,0]=4 712 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 713 B10R1.66 CC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0150 [1,0,0,1,0,0|2,0,0]=4 714 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 715 B10R1.66 CC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0150 [1,0,0,1,0,0|2,0,0]=4 716 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,0]=3 717 B10R1.66 NC(=O)CCC1CCCC1 WXVL_AK0084SB0045 [1,0,0,1,0,0|1,0,0]=3 718 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [1,0,0,1,0,0|2,0,0]=4 719 B10R1.66 NC(=O)CCN1CCCC1 WXVL_AK0084SB0766 [1,0,0,1,0,0|2,0,0]=4 720 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [1,0,0,1,0,0|2,0,0]=4 721 B10R1.66 NC(=O)COC1CCCC1 WXVL_AK0084SB0754 [1,0,0,1,0,0|2,0,0]=4 722 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 723 B10R1.127 CC(=O)NCCC1CCC1 WXVL_AK2418SB0150 [1,0,0,1,0,0|1,0,0]=3 724 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 725 B10R1.348 CC(=O)N1CCCOCC1 WXVL_AN00350SB0150 [1,0,0,1,0,0|2,0,0]=4 726 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,0]=3 727 B10R1.348 NC(=O)C1CCCCCC1 WXVL_AK0084SB0385 [1,0,0,1,0,0|1,0,0]=3 728 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 729 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 730 B10R1.15 CCC(=O)N1CCSCC1 WXVL_AN0896SB0064 [1,0,0,1,0,0|2,0,0]=4 731 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,0]=3 732 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,0]=3 733 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [1,0,0,1,0,0|2,0,0]=4 734 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [1,0,0,1,0,0|2,0,0]=4 735 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [1,0,0,1,0,0|2,0,0]=4 736 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [1,0,0,1,0,0|2,0,0]=4 737 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [1,0,0,1,0,0|2,0,0]=4 738 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [1,0,0,1,0,0|2,0,0]=4 739 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [1,0,0,1,0,0|2,0,0]=4 740 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [1,0,0,1,0,0|2,0,0]=4 741 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,0]=3 742 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,0]=3 743 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [1,0,0,1,0,0|2,0,0]=4 744 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [1,0,0,1,0,0|2,0,0]=4 745 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|1,0,0]=3 746 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,0]=3 747 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,0]=3 748 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [1,0,0,1,0,0|2,0,0]=4 749 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [1,0,0,1,0,0|2,0,0]=4 750 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [1,0,0,1,0,0|2,0,0]=4 751 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,0]=3 752 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,0]=3 753 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 754 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 755 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,1,0,0|2,0,0]=4 756 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,1,0,0|2,0,0]=4 757 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,0]=3 758 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,0]=3 759 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,1,0,0|2,0,0]=4 760 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,1,0,0|2,0,0]=4 761 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,0]=3 762 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,0]=3 763 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [1,0,0,1,0,0|2,0,0]=4 764 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [1,0,0,1,0,0|2,0,0]=4 765 B10R1.175 CCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0064 [1,0,0,1,0,0|2,0,0]=4 766 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [1,0,0,1,0,0|2,0,0]=4 767 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [1,0,0,1,0,0|2,0,0]=4 768 B12R1.32 C#CCC(=O)NC1CCCCC1 WXVL_AK00480SB3070 [0,1,0,1,0,0|1,0,1]=4 769 B12R1.32 C#CCC(=O)NC1CCCCC1 WXVL_AK00480SB3070 [0,1,0,1,0,0|1,0,1]=4 770 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,1,0,1,0,0|1,0,1]=4 771 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,1,0,1,0,0|1,0,1]=4 772 B12R1.32 C=CCC(=O)NC1CCCCC1 WXVL_AK00480SB2732 [0,1,0,1,0,0|1,0,1]=4 773 B12R1.32 C=CCC(=O)NC1CCCCC1 WXVL_AK00480SB2732 [0,1,0,1,0,0|1,0,1]=4 774 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,1,0,1,0,0|1,0,1]=4 775 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,1,0,1,0,0|1,0,1]=4 776 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|1,0,0]=3 777 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|1,0,0]=3 778 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|2,0,0]=4 779 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|2,0,0]=4 780 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|1,0,0]=3 781 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|1,0,0]=3 782 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|1,0,0]=3 783 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|1,0,0]=3 784 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,1,0,1,0,0|2,0,0]=4 785 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,1,0,1,0,0|2,0,0]=4 786 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|1,0,0]=3 787 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|1,0,0]=3 788 B12R1.32 CCNC(=O)CN1CCOCC1 WXVL_AK00476SB0188 [0,1,0,1,0,0|2,0,0]=4 789 B12R1.32 CCNC(=O)CN1CCOCC1 WXVL_AK00476SB0188 [0,1,0,1,0,0|2,0,0]=4 790 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|1,0,0]=3 791 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|1,0,0]=3 792 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,1,0,1,0,0|2,0,0]=4 793 B12R1.32 COCC(=O)NC1CCCOC1 WXVL_AK1073SB0090 [0,1,0,1,0,0|2,0,0]=4 794 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|1,0,0]=3 795 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|1,0,0]=3 796 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,1,0,1,0,0|2,0,0]=4 797 B12R1.32 CSCC(=O)NC1CCCOC1 WXVL_AK1073SB1267 [0,1,0,1,0,0|2,0,0]=4 798 B12R1.32 N#CCC(=O)NC1CCCCC1 WXVL_AK00480SB0057 [0,1,0,1,0,0|1,0,1]=4 799 B12R1.32 N#CCC(=O)NC1CCCCC1 WXVL_AK00480SB0057 [0,1,0,1,0,0|1,0,1]=4 800 B12R1.51 C#CCC(=O)NCC1CCCC1 WXVL_AK0303SB3070 [0,1,0,1,0,0|1,0,1]=4 801 B12R1.51 C#CCC(=O)NCC1CCCC1 WXVL_AK0303SB3070 [0,1,0,1,0,0|1,0,1]=4 802 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,1,0,1,0,0|1,0,1]=4 803 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,1,0,1,0,0|1,0,1]=4 804 B12R1.51 C=CCC(=O)NCC1CCCC1 WXVL_AK0303SB2732 [0,1,0,1,0,0|1,0,1]=4 805 B12R1.51 C=CCC(=O)NCC1CCCC1 WXVL_AK0303SB2732 [0,1,0,1,0,0|1,0,1]=4 806 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,1,0,1,0,0|1,0,1]=4 807 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,1,0,1,0,0|1,0,1]=4 808 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|1,0,0]=3 809 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|1,0,0]=3 810 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,1,0,1,0,0|2,0,0]=4 811 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,1,0,1,0,0|2,0,0]=4 812 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,1,0,1,0,0|2,0,0]=4 813 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,1,0,1,0,0|2,0,0]=4 814 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,1,0,1,0,0|2,0,0]=4 815 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,1,0,1,0,0|2,0,0]=4 816 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|0,0,2]=4 817 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|0,0,2]=4 818 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|0,0,0]=2 819 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|0,0,0]=2 820 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|1,0,0]=3 821 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|1,0,0]=3 822 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|1,0,0]=3 823 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|1,0,0]=3 824 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|1,0,0]=3 825 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|1,0,0]=3 826 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,1,0,1,0,0|2,0,0]=4 827 B12R1.51 COCC(=O)NCC1CCOC1 WXVL_AK00634SB0090 [0,1,0,1,0,0|2,0,0]=4 828 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,1,0,1,0,0|2,0,0]=4 829 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0090 [0,1,0,1,0,0|2,0,0]=4 830 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,1,0,1,0,0|2,0,0]=4 831 B12R1.51 COCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0090 [0,1,0,1,0,0|2,0,0]=4 832 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|1,0,0]=3 833 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|1,0,0]=3 834 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,1,0,1,0,0|2,0,0]=4 835 B12R1.51 CSCC(=O)NCC1CCOC1 WXVL_AK00634SB1267 [0,1,0,1,0,0|2,0,0]=4 836 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,1,0,1,0,0|2,0,0]=4 837 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1267 [0,1,0,1,0,0|2,0,0]=4 838 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,1,0,1,0,0|2,0,0]=4 839 B12R1.51 CSCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1267 [0,1,0,1,0,0|2,0,0]=4 840 B12R1.51 N#CCC(=O)NCC1CCCC1 WXVL_AK0303SB0057 [0,1,0,1,0,0|1,0,1]=4 841 B12R1.51 N#CCC(=O)NCC1CCCC1 WXVL_AK0303SB0057 [0,1,0,1,0,0|1,0,1]=4 842 B12R1.308 C#CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB3070 [0,1,0,1,0,0|1,0,1]=4 843 B12R1.308 C/C=C/C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0340 [0,1,0,1,0,0|1,0,1]=4 844 B12R1.308 C=CCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB2732 [0,1,0,1,0,0|1,0,1]=4 845 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1240 [0,1,0,1,0,0|1,0,1]=4 846 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,1,0,1,0,0|1,0,0]=3 847 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,1,0,1,0,0|2,0,0]=4 848 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,1,0,1,0,0|2,0,0]=4 849 B12R1.308 CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0073 [0,1,0,1,0,0|2,0,0]=4 850 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|1,0,0]=3 851 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|1,0,0]=3 852 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,1,0,1,0,0|1,0,0]=3 853 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,1,0,1,0,0|2,0,0]=4 854 B12R1.308 COCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0090 [0,1,0,1,0,0|2,0,0]=4 855 B12R1.308 COCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0090 [0,1,0,1,0,0|2,0,0]=4 856 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1267 [0,1,0,1,0,0|1,0,0]=3 857 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,1,0,1,0,0|2,0,0]=4 858 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB1267 [0,1,0,1,0,0|2,0,0]=4 859 B12R1.308 CSCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB1267 [0,1,0,1,0,0|2,0,0]=4 860 B12R1.308 C[C@H]1CCCCN1C(=O)CC#N WXVL_AN00851SB0057 [0,1,0,1,0,0|1,0,1]=4 861 B12R1.315 C#CCC(=O)NCCC1CCC1 WXVL_AK2418SB3070 [0,1,0,1,0,0|1,0,1]=4 862 B12R1.315 C#CCC(=O)NCCC1CCC1 WXVL_AK2418SB3070 [0,1,0,1,0,0|1,0,1]=4 863 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,1,0,1,0,0|1,0,1]=4 864 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,1,0,1,0,0|1,0,1]=4 865 B12R1.315 C=CCC(=O)NCCC1CCC1 WXVL_AK2418SB2732 [0,1,0,1,0,0|1,0,1]=4 866 B12R1.315 C=CCC(=O)NCCC1CCC1 WXVL_AK2418SB2732 [0,1,0,1,0,0|1,0,1]=4 867 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,1,0,1,0,0|1,0,1]=4 868 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,1,0,1,0,0|1,0,1]=4 869 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|1,0,0]=3 870 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|1,0,0]=3 871 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|1,0,0]=3 872 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|1,0,0]=3 873 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|1,0,0]=3 874 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|1,0,0]=3 875 B12R1.315 N#CCC(=O)NCCC1CCC1 WXVL_AK2418SB0057 [0,1,0,1,0,0|1,0,1]=4 876 B12R1.315 N#CCC(=O)NCCC1CCC1 WXVL_AK2418SB0057 [0,1,0,1,0,0|1,0,1]=4 877 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,1,0,1,0,0|2,0,0]=4 878 B12R1.316 COCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0090 [0,1,0,1,0,0|2,0,0]=4 879 B12R1.316 CSCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB1267 [0,1,0,1,0,0|2,0,0]=4 880 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|1,0,0]=3 881 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|1,0,0]=3 882 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,1,0,1,0,0|2,0,0]=4 883 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,1,0,1,0,0|2,0,0]=4 884 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,1,0,1,0,0|2,0,0]=4 885 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,1,0,1,0,0|2,0,0]=4 886 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,1,0,1,0,0|2,0,0]=4 887 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,1,0,1,0,0|2,0,0]=4 888 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|0,0,0]=2 889 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|0,0,0]=2 890 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,1,0,1,0,0|2,0,0]=4 891 B12R1.1564 COCC(=O)N1CCCOCC1 WXVL_AN00350SB0090 [0,1,0,1,0,0|2,0,0]=4 892 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,1,0,1,0,0|2,0,0]=4 893 B12R1.1564 CSCC(=O)N1CCCOCC1 WXVL_AN00350SB1267 [0,1,0,1,0,0|2,0,0]=4 894 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,1,0,1,0,0|1,0,0]=3 895 B12R1.27 CCC(=O)NCC1CCCCO1 WXVL_AK1232SB0064 [0,1,0,1,0,0|1,0,0]=3 896 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,1,0,1,0,0|1,0,0]=3 897 B12R1.27 CCC(=O)NCC1CCCOC1 WXVL_AK00150SB0064 [0,1,0,1,0,0|1,0,0]=3 898 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,1,0,1,0,0|1,0,0]=3 899 B12R1.27 CCC(=O)NCC1CCOCC1 WXVL_AK0150SB0064 [0,1,0,1,0,0|1,0,0]=3 900 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,1,0,1,0,0|1,0,0]=3 901 B12R1.27 CCC(=O)NCC1CCSCC1 WXVL_AK00654SB0064 [0,1,0,1,0,0|1,0,0]=3 902 B12R1.27 CCC(=O)NCC1CNCCO1 WXVL_AK1379SB0064 [0,1,0,1,0,0|2,0,0]=4 903 B12R1.27 CCC(=O)NCC1CNCCO1 WXVL_AK1379SB0064 [0,1,0,1,0,0|2,0,0]=4 904 B12R1.27 CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0064 [0,1,0,1,0,0|2,0,0]=4 905 B12R1.27 CCC(=O)NC[C@H]1COCCO1 WXVL_AK00567SB0064 [0,1,0,1,0,0|2,0,0]=4 906 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,1]=4 907 B12R1.27 CNC(=O)/C=C/C1CCCCC1 WXVL_AK00442SB5384 [0,1,0,1,0,0|1,0,1]=4 908 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|1,0,0]=3 909 B12R1.27 CNC(=O)CCC1CCCCC1 WXVL_AK00442SB0049 [0,1,0,1,0,0|1,0,0]=3 910 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,1,0,1,0,0|1,0,0]=3 911 B12R1.27 CNC(=O)CCN1CCCCC1 WXVL_AK00442SB0127 [0,1,0,1,0,0|1,0,0]=3 912 B12R1.27 CNC(=O)CCN1CCOCC1 WXVL_AK00442SB0196 [0,1,0,1,0,0|2,0,0]=4 913 B12R1.27 CNC(=O)CCN1CCOCC1 WXVL_AK00442SB0196 [0,1,0,1,0,0|2,0,0]=4 914 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|1,0,0]=3 915 B12R1.27 CNC(=O)COC1CCCCC1 WXVL_AK00442SB3400 [0,1,0,1,0,0|1,0,0]=3 916 B12R1.27 O=C(CO)NCC1CCCCO1 WXVL_AK1232SB2706 [0,1,0,1,0,0|2,0,0]=4 917 B12R1.27 O=C(CO)NCC1CCCCO1 WXVL_AK1232SB2706 [0,1,0,1,0,0|2,0,0]=4 918 B12R1.27 O=C(CO)NCC1CCCOC1 WXVL_AK00150SB2706 [0,1,0,1,0,0|2,0,0]=4 919 B12R1.27 O=C(CO)NCC1CCCOC1 WXVL_AK00150SB2706 [0,1,0,1,0,0|2,0,0]=4 920 B12R1.27 O=C(CO)NCC1CCOCC1 WXVL_AK0150SB2706 [0,1,0,1,0,0|2,0,0]=4 921 B12R1.27 O=C(CO)NCC1CCOCC1 WXVL_AK0150SB2706 [0,1,0,1,0,0|2,0,0]=4 922 B12R1.27 O=C(CO)NCC1CCSCC1 WXVL_AK00654SB2706 [0,1,0,1,0,0|2,0,0]=4 923 B12R1.27 O=C(CO)NCC1CCSCC1 WXVL_AK00654SB2706 [0,1,0,1,0,0|2,0,0]=4 924 B12R1.77 CCC(=O)N1CCCCC1C#N WXVL_AN00871SB0064 [0,1,0,1,0,0|1,0,1]=4 925 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,1,0,1,0,0|1,0,0]=3 926 B12R1.77 CCC(=O)N1CCCCC1CO WXVL_AN0018SB0064 [0,1,0,1,0,0|1,0,0]=3 927 B12R1.77 CCC(=O)N1CCOCC1CO WXVL_AN00501SB0064 [0,1,0,1,0,0|2,0,0]=4 928 B12R1.77 CCC(=O)N1CCOCC1CO WXVL_AN00501SB0064 [0,1,0,1,0,0|2,0,0]=4 929 B12R1.77 O=C(CO)N1CCCCC1CO WXVL_AN0018SB2706 [0,1,0,1,0,0|2,0,0]=4 930 B12R1.77 O=C(CO)N1CCCCC1CO WXVL_AN0018SB2706 [0,1,0,1,0,0|2,0,0]=4 931 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,1,0,1,0,0|1,0,0]=3 932 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0064 [0,1,0,1,0,0|1,0,0]=3 933 B12R1.353 CN1CCC[C@H]1CNC(=O)CO WXVL_AK00784SB2706 [0,1,0,1,0,0|2,0,0]=4 934 B12R1.353 CN1CCC[C@H]1CNC(=O)CO WXVL_AK00784SB2706 [0,1,0,1,0,0|2,0,0]=4 935 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,1,0,1,0,0|0,0,2]=4 936 B12R1.477 C#CC(=O)NCCC1CCCC1 WXVL_AK00531SB0338 [0,1,0,1,0,0|0,0,2]=4 937 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|0,0,0]=2 938 B12R1.477 CCC(=O)NCCC1CCCC1 WXVL_AK00531SB0064 [0,1,0,1,0,0|0,0,0]=2 939 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|1,0,0]=3 940 B12R1.477 O=C(CO)NCCC1CCCC1 WXVL_AK00531SB2706 [0,1,0,1,0,0|1,0,0]=3 941 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|1,0,1]=4 942 B12R1.43 CC(=O)C(=O)NC1CCCCC1 WXVL_AK00480SB0051 [0,1,0,1,0,0|1,0,1]=4 943 B12R1.43 CC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0052 [0,1,0,1,0,0|1,0,0]=3 944 B12R1.43 CC(C)C(=O)NC1CCCCC1 WXVL_AK00480SB0052 [0,1,0,1,0,0|1,0,0]=3 945 B12R1.43 CC(C)C(=O)NC1CCCOC1 WXVL_AK1073SB0052 [0,1,0,1,0,0|2,0,0]=4 946 B12R1.43 CC(C)C(=O)NC1CCCOC1 WXVL_AK1073SB0052 [0,1,0,1,0,0|2,0,0]=4 947 B12R1.43 CC(S)C(=O)NC1CCCCC1 WXVL_AK00480SB2708 [0,1,0,1,0,0|1,0,0]=3 948 B12R1.43 CC(S)C(=O)NC1CCCCC1 WXVL_AK00480SB2708 [0,1,0,1,0,0|1,0,0]=3 949 B12R1.43 CC(S)C(=O)NC1CCCOC1 WXVL_AK1073SB2708 [0,1,0,1,0,0|2,0,0]=4 950 B12R1.43 CC(S)C(=O)NC1CCCOC1 WXVL_AK1073SB2708 [0,1,0,1,0,0|2,0,0]=4 951 B12R1.43 CN(C)C(=O)CC1CCCCO1 WXVL_AN0032SB1464 [0,1,0,1,0,0|2,0,0]=4 952 B12R1.43 CN(C)C(=O)CC1CCCCO1 WXVL_AN0032SB1464 [0,1,0,1,0,0|2,0,0]=4 953 B12R1.43 CN(C)C(=O)CC1CCOCC1 WXVL_AN0032SB0194 [0,1,0,1,0,0|2,0,0]=4 954 B12R1.43 CN(C)C(=O)CC1CCOCC1 WXVL_AN0032SB0194 [0,1,0,1,0,0|2,0,0]=4 955 B12R1.43 CN(C)C(=O)CN1CCCCC1 WXVL_AN0032SB0186 [0,1,0,1,0,0|2,0,0]=4 956 B12R1.43 CN(C)C(=O)CN1CCCCC1 WXVL_AN0032SB0186 [0,1,0,1,0,0|2,0,0]=4 957 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB1085 [0,1,0,1,0,0|1,0,0]=3 958 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 WXVL_AK00480SB1085 [0,1,0,1,0,0|1,0,0]=3 959 B12R1.43 C[C@@H](O)C(=O)NC1CCCOC1 WXVL_AK1073SB1085 [0,1,0,1,0,0|2,0,0]=4 960 B12R1.43 C[C@@H](O)C(=O)NC1CCCOC1 WXVL_AK1073SB1085 [0,1,0,1,0,0|2,0,0]=4 961 B12R1.43 O=C(NC1CCCCC1)C(F)F WXVL_AK00480SB0079 [0,1,0,1,0,0|2,0,0]=4 962 B12R1.43 O=C(NC1CCCCC1)C(F)F WXVL_AK00480SB0079 [0,1,0,1,0,0|2,0,0]=4 963 B12R1.80 CC(C)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB0052 [0,1,0,1,0,0|2,0,0]=4 964 B12R1.80 CC(S)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB2708 [0,1,0,1,0,0|2,0,0]=4 965 B12R1.80 C[C@@H](O)C(=O)N1CCC[C@H]1CO WXVL_AN0917SB1085 [0,1,0,1,0,0|2,0,0]=4 966 B12R1.124 CC(=O)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0051 [0,1,0,1,0,0|1,0,1]=4 967 B12R1.124 CC(C)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0052 [0,1,0,1,0,0|1,0,0]=3 968 B12R1.124 CC(C)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0052 [0,1,0,1,0,0|2,0,0]=4 969 B12R1.124 CC(C)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0052 [0,1,0,1,0,0|2,0,0]=4 970 B12R1.124 CC(C)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB0052 [0,1,0,1,0,0|2,0,0]=4 971 B12R1.124 CC(S)C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB2708 [0,1,0,1,0,0|1,0,0]=3 972 B12R1.124 CC(S)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB2708 [0,1,0,1,0,0|2,0,0]=4 973 B12R1.124 CC(S)C(=O)N1CCOC[C@@H]1C WXVL_AN00472SB2708 [0,1,0,1,0,0|2,0,0]=4 974 B12R1.124 CC(S)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB2708 [0,1,0,1,0,0|2,0,0]=4 975 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C WXVL_AN0032SB4055 [0,1,0,1,0,0|2,0,0]=4 976 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C WXVL_AN0032SB4055 [0,1,0,1,0,0|2,0,0]=4 977 B12R1.124 C[C@@H](O)C(=O)N1CCOC[C@H]1C WXVL_AN00562SB1085 [0,1,0,1,0,0|2,0,0]=4 978 B12R1.124 C[C@H]1CCCCN1C(=O)C(F)F WXVL_AN00851SB0079 [0,1,0,1,0,0|2,0,0]=4 979 B12R1.124 C[C@H]1CCCCN1C(=O)[C@@H](C)O WXVL_AN00851SB1085 [0,1,0,1,0,0|1,0,0]=3 980 B12R1.124 C[C@H]1COCCN1C(=O)[C@@H](C)O WXVL_AN00472SB1085 [0,1,0,1,0,0|2,0,0]=4 981 B12R1.124 C[C@H]1COCCN1C(=O)[C@@H](C)O WXVL_AN00472SB1085 [0,1,0,1,0,0|2,0,0]=4 982 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|1,0,1]=4 983 B12R1.264 CC(=O)C(=O)NCC1CCCC1 WXVL_AK0303SB0051 [0,1,0,1,0,0|1,0,1]=4 984 B12R1.264 CC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0052 [0,1,0,1,0,0|1,0,0]=3 985 B12R1.264 CC(C)C(=O)NCC1CCCC1 WXVL_AK0303SB0052 [0,1,0,1,0,0|1,0,0]=3 986 B12R1.264 CC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0052 [0,1,0,1,0,0|2,0,0]=4 987 B12R1.264 CC(C)C(=O)NCC1CCOC1 WXVL_AK00634SB0052 [0,1,0,1,0,0|2,0,0]=4 988 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0052 [0,1,0,1,0,0|2,0,0]=4 989 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0052 [0,1,0,1,0,0|2,0,0]=4 990 B12R1.264 CC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0052 [0,1,0,1,0,0|2,0,0]=4 991 B12R1.264 CC(C)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0052 [0,1,0,1,0,0|2,0,0]=4 992 B12R1.264 CC(S)C(=O)NCC1CCCC1 WXVL_AK0303SB2708 [0,1,0,1,0,0|1,0,0]=3 993 B12R1.264 CC(S)C(=O)NCC1CCCC1 WXVL_AK0303SB2708 [0,1,0,1,0,0|1,0,0]=3 994 B12R1.264 CC(S)C(=O)NCC1CCOC1 WXVL_AK00634SB2708 [0,1,0,1,0,0|2,0,0]=4 995 B12R1.264 CC(S)C(=O)NCC1CCOC1 WXVL_AK00634SB2708 [0,1,0,1,0,0|2,0,0]=4 996 B12R1.264 CC(S)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2708 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.264 CC(S)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB2708 [0,1,0,1,0,0|2,0,0]=4 998 B12R1.264 CC(S)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB2708 [0,1,0,1,0,0|2,0,0]=4 999 B12R1.264 CC(S)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB2708 [0,1,0,1,0,0|2,0,0]=4 1000 B12R1.264 CN(C)C(=O)CCC1CCCC1 WXVL_AN0032SB0045 [0,1,0,1,0,0|1,0,0]=3 1001 B12R1.264 CN(C)C(=O)CCC1CCCC1 WXVL_AN0032SB0045 [0,1,0,1,0,0|1,0,0]=3 1002 B12R1.264 CN(C)C(=O)CCN1CCCC1 WXVL_AN0032SB0766 [0,1,0,1,0,0|2,0,0]=4 1003 B12R1.264 CN(C)C(=O)CCN1CCCC1 WXVL_AN0032SB0766 [0,1,0,1,0,0|2,0,0]=4 1004 B12R1.264 CN(C)C(=O)COC1CCCC1 WXVL_AN0032SB0754 [0,1,0,1,0,0|2,0,0]=4 1005 B12R1.264 CN(C)C(=O)COC1CCCC1 WXVL_AN0032SB0754 [0,1,0,1,0,0|2,0,0]=4 1006 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB1085 [0,1,0,1,0,0|1,0,0]=3 1007 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 WXVL_AK0303SB1085 [0,1,0,1,0,0|1,0,0]=3 1008 B12R1.264 C[C@@H](O)C(=O)NCC1CCOC1 WXVL_AK00634SB1085 [0,1,0,1,0,0|2,0,0]=4 1009 B12R1.264 C[C@@H](O)C(=O)NCC1CCOC1 WXVL_AK00634SB1085 [0,1,0,1,0,0|2,0,0]=4 1010 B12R1.264 C[C@@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1085 [0,1,0,1,0,0|2,0,0]=4 1011 B12R1.264 C[C@@H](O)C(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB1085 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.264 C[C@@H](O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1085 [0,1,0,1,0,0|2,0,0]=4 1013 B12R1.264 C[C@@H](O)C(=O)NC[C@H]1CCOC1 WXVL_AK2110SB1085 [0,1,0,1,0,0|2,0,0]=4 1014 B12R1.264 O=C(NCC1CCCC1)C(F)F WXVL_AK0303SB0079 [0,1,0,1,0,0|2,0,0]=4 1015 B12R1.264 O=C(NCC1CCCC1)C(F)F WXVL_AK0303SB0079 [0,1,0,1,0,0|2,0,0]=4 1016 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|1,0,1]=4 1017 B12R1.1396 CC(=O)C(=O)NCCC1CCC1 WXVL_AK2418SB0051 [0,1,0,1,0,0|1,0,1]=4 1018 B12R1.1396 CC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0052 [0,1,0,1,0,0|1,0,0]=3 1019 B12R1.1396 CC(C)C(=O)NCCC1CCC1 WXVL_AK2418SB0052 [0,1,0,1,0,0|1,0,0]=3 1020 B12R1.1396 CC(S)C(=O)NCCC1CCC1 WXVL_AK2418SB2708 [0,1,0,1,0,0|1,0,0]=3 1021 B12R1.1396 CC(S)C(=O)NCCC1CCC1 WXVL_AK2418SB2708 [0,1,0,1,0,0|1,0,0]=3 1022 B12R1.1396 C[C@@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB1085 [0,1,0,1,0,0|1,0,0]=3 1023 B12R1.1396 C[C@@H](O)C(=O)NCCC1CCC1 WXVL_AK2418SB1085 [0,1,0,1,0,0|1,0,0]=3 1024 B12R1.1396 O=C(NCCC1CCC1)C(F)F WXVL_AK2418SB0079 [0,1,0,1,0,0|2,0,0]=4 1025 B12R1.1396 O=C(NCCC1CCC1)C(F)F WXVL_AK2418SB0079 [0,1,0,1,0,0|2,0,0]=4 1026 B12R1.2197 CC(C)C(=O)N1CCCOCC1 WXVL_AN00350SB0052 [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.2197 CC(C)C(=O)N1CCCOCC1 WXVL_AN00350SB0052 [0,1,0,1,0,0|2,0,0]=4 1028 B12R1.2197 CC(S)C(=O)N1CCCOCC1 WXVL_AN00350SB2708 [0,1,0,1,0,0|2,0,0]=4 1029 B12R1.2197 CC(S)C(=O)N1CCCOCC1 WXVL_AN00350SB2708 [0,1,0,1,0,0|2,0,0]=4 1030 B12R1.2197 CN(C)C(=O)C1CCCCCC1 WXVL_AN0032SB0385 [0,1,0,1,0,0|1,0,0]=3 1031 B12R1.2197 CN(C)C(=O)C1CCCCCC1 WXVL_AN0032SB0385 [0,1,0,1,0,0|1,0,0]=3 1032 B12R1.2197 C[C@@H](O)C(=O)N1CCCOCC1 WXVL_AN00350SB1085 [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.2197 C[C@@H](O)C(=O)N1CCCOCC1 WXVL_AN00350SB1085 [0,1,0,1,0,0|2,0,0]=4 1034 B12R1.194 CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0028 [0,1,0,1,0,0|2,0,0]=4 1035 B12R1.194 CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0028 [0,1,0,1,0,0|2,0,0]=4 1036 B12R1.195 CCS(=O)(=O)N1CCCC[C@@H]1C WXVL_AN00851HU0028 [0,1,0,1,0,0|2,0,0]=4 1037 B12R1.196 CCS(=O)(=O)NCC1CCCC1 WXVL_AK0303HU0028 [0,1,0,1,0,0|2,0,0]=4 1038 B12R1.196 CCS(=O)(=O)NCC1CCCC1 WXVL_AK0303HU0028 [0,1,0,1,0,0|2,0,0]=4 1039 B12R1.203 CCS(=O)(=O)NCCC1CCC1 WXVL_AK2418HU0028 [0,1,0,1,0,0|2,0,0]=4 1040 B12R1.203 CCS(=O)(=O)NCCC1CCC1 WXVL_AK2418HU0028 [0,1,0,1,0,0|2,0,0]=4 1041 B12R1.26 CCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0064 [0,1,0,1,0,0|1,0,0]=3 1042 B12R1.26 CCC(=O)NCC1CCC(C1)F WXVL_AK00226SB0064 [0,1,0,1,0,0|1,0,0]=3 1043 B12R1.26 O=C(CO)NCC1CCC(C1)F WXVL_AK00226SB2706 [0,1,0,1,0,0|2,0,0]=4 1044 B12R1.26 O=C(CO)NCC1CCC(C1)F WXVL_AK00226SB2706 [0,1,0,1,0,0|2,0,0]=4 1045 B12R1.354 CCC(=O)N1C[C@H](OC[C@H]1C)C WXVL_AN00745SB0064 [0,1,0,1,0,0|2,0,0]=4 1046 B12R1.1657 CC1CCCCN(C1)C(=O)CO WXVL_AN00290SB2706 [0,1,0,1,0,0|2,0,0]=4 1047 B12R1.1657 CC1CCCCN(C1)C(=O)CO WXVL_AN00290SB2706 [0,1,0,1,0,0|2,0,0]=4 1048 B12R1.1657 CCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0064 [0,1,0,1,0,0|1,0,0]=3 1049 B12R1.1657 CCC(=O)N1CCCCC(C1)C WXVL_AN00290SB0064 [0,1,0,1,0,0|1,0,0]=3 1050 B12R1.1657 CCC(=O)N1CCOC[C@@H](C1)O WXVL_AN00873SB0064 [0,1,0,1,0,0|2,0,0]=4 1051 B12R1.1677 CC1(CCCC1)CNC(=O)CO WXVL_AK0300SB2706 [0,1,0,1,0,0|2,0,0]=4 1052 B12R1.1677 CC1(CCCC1)CNC(=O)CO WXVL_AK0300SB2706 [0,1,0,1,0,0|2,0,0]=4 1053 B12R1.1677 CCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0064 [0,1,0,1,0,0|1,0,0]=3 1054 B12R1.1677 CCC(=O)NCC1(CCCC1)C WXVL_AK0300SB0064 [0,1,0,1,0,0|1,0,0]=3 1055 B12R1.1677 CCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0064 [0,1,0,1,0,0|1,0,0]=3 1056 B12R1.1677 CCC(=O)NCC1(CCCC1)O WXVL_AK00235SB0064 [0,1,0,1,0,0|1,0,0]=3 1057 B12R1.1677 O=C(CO)NCC1(CCCC1)O WXVL_AK00235SB2706 [0,1,0,1,0,0|2,0,0]=4 1058 B12R1.1677 O=C(CO)NCC1(CCCC1)O WXVL_AK00235SB2706 [0,1,0,1,0,0|2,0,0]=4 1059 B12R1.1926 CCC(=O)N1C[C@H](C[C@@H]1CO)O WXVL_AN00708SB0064 [0,1,0,1,0,0|2,0,0]=4 1060 B12R1.24 CC1C(CCCN1C(=O)CO)O WXVL_ANJ336SB2706 [0,1,0,1,0,0|2,0,0]=4 1061 B12R1.24 CC1C(CCCN1C(=O)CO)O WXVL_ANJ336SB2706 [0,1,0,1,0,0|2,0,0]=4 1062 B12R1.24 CCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0064 [0,1,0,1,0,0|1,0,0]=3 1063 B12R1.24 CCC(=O)N1CCCC(C1C)O WXVL_ANJ336SB0064 [0,1,0,1,0,0|1,0,0]=3 1064 B12R1.49 CCC(=O)NC1CCN(CC1)C WXVL_AK0287SB0064 [0,1,0,1,0,0|2,0,0]=4 1065 B12R1.49 CCC(=O)NC1CCN(CC1)C WXVL_AK0287SB0064 [0,1,0,1,0,0|2,0,0]=4 1066 B12R1.49 CNC(=O)CC1CCN(CC1)C WXVL_AK00442SB0212 [0,1,0,1,0,0|2,0,0]=4 1067 B12R1.49 CNC(=O)CC1CCN(CC1)C WXVL_AK00442SB0212 [0,1,0,1,0,0|2,0,0]=4 1068 B12R1.49 CNC(=O)CN1CCC(CC1)C WXVL_AK00442SB8856 [0,1,0,1,0,0|2,0,0]=4 1069 B12R1.49 CNC(=O)CN1CCC(CC1)C WXVL_AK00442SB8856 [0,1,0,1,0,0|2,0,0]=4 1070 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00442YV0200 [0,1,0,1,0,0|2,0,0]=4 1071 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C WXVL_AK00442YV0200 [0,1,0,1,0,0|2,0,0]=4 1072 B12R1.435 CCC(=O)N1CCCC(C1)CO WXVL_AN0022SB0064 [0,1,0,1,0,0|2,0,0]=4 1073 B12R1.435 CCC(=O)N1CCCC(C1)CO WXVL_AN0022SB0064 [0,1,0,1,0,0|2,0,0]=4 1074 B12R1.435 CCC(=O)N1CCCC(C1)OC WXVL_AN0119SB0064 [0,1,0,1,0,0|2,0,0]=4 1075 B12R1.435 CCC(=O)N1CCCC(C1)OC WXVL_AN0119SB0064 [0,1,0,1,0,0|2,0,0]=4 1076 B12R1.435 CCC(=O)N1CCC[C@H](C1)CO WXVL_AN00578SB0064 [0,1,0,1,0,0|2,0,0]=4 1077 B12R1.435 CCC(=O)N1CCC[C@H](C1)OC WXVL_AN00707SB0064 [0,1,0,1,0,0|2,0,0]=4 1078 B12R1.435 CCC(=O)N1CCOC(C1)CC WXVL_AN8301SB0064 [0,1,0,1,0,0|2,0,0]=4 1079 B12R1.435 CCC(=O)N1CCO[C@H](C1)CC WXVL_AN00769SB0064 [0,1,0,1,0,0|2,0,0]=4 1080 B12R1.1658 CC1CCCN(CC1)C(=O)CO WXVL_AN00326SB2706 [0,1,0,1,0,0|2,0,0]=4 1081 B12R1.1658 CC1CCCN(CC1)C(=O)CO WXVL_AN00326SB2706 [0,1,0,1,0,0|2,0,0]=4 1082 B12R1.1658 CCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0064 [0,1,0,1,0,0|1,0,0]=3 1083 B12R1.1658 CCC(=O)N1CCCC(CC1)C WXVL_AN00326SB0064 [0,1,0,1,0,0|1,0,0]=3 1084 B12R1.50 CCC(=O)N[C@H]1CCCN(C1)C WXVL_AK2061SB0064 [0,1,0,1,0,0|2,0,0]=4 1085 B12R1.50 CCC(=O)N[C@H]1CCCN(C1)C WXVL_AK2061SB0064 [0,1,0,1,0,0|2,0,0]=4 1086 B12R1.50 CCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0064 [0,1,0,1,0,0|1,0,0]=3 1087 B12R1.50 CCC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0064 [0,1,0,1,0,0|1,0,0]=3 1088 B12R1.50 O=C(CO)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB2706 [0,1,0,1,0,0|2,0,0]=4 1089 B12R1.50 O=C(CO)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB2706 [0,1,0,1,0,0|2,0,0]=4 1090 B12R1.366 CNC(=O)C1CCCCC1(F)F WXVL_AK00442SBG936 [0,1,0,1,0,0|2,0,0]=4 1091 B12R1.366 CNC(=O)C1CCCCC1(F)F WXVL_AK00442SBG936 [0,1,0,1,0,0|2,0,0]=4 1092 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C WXVL_AK00442SB0024 [0,1,0,1,0,0|2,0,0]=4 1093 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C WXVL_AK00442SB0024 [0,1,0,1,0,0|2,0,0]=4 1094 B12R1.179 CCC(=O)N1CC[C@@H](C1)COC WXVL_AN5044SB0064 [0,1,0,1,0,0|2,0,0]=4 1095 B12R1.179 CCC(=O)N1CC[C@@H](C1)COC WXVL_AN5044SB0064 [0,1,0,1,0,0|2,0,0]=4 1096 B12R1.468 CCC(=O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB0344 [0,1,0,1,0,0|1,0,1]=4 1097 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|1,0,1]=4 1098 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|1,0,1]=4 1099 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|1,0,1]=4 1100 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|1,0,1]=4 1101 B12R1.15 CCC(=O)NC(C)C1CCOC1 WXVL_AKJ995SB0064 [0,1,0,1,0,0|2,0,0]=4 1102 B12R1.15 CCC(=O)NC(C)C1CCOC1 WXVL_AKJ995SB0064 [0,1,0,1,0,0|2,0,0]=4 1103 B12R1.658 CCC(=O)N1[C@H](CC[C@H]1CO)C WXVL_AN00444SB0064 [0,1,0,1,0,0|2,0,0]=4 1104 B12R1.658 CCC(=O)N1[C@H](CC[C@H]1CO)C WXVL_AN00444SB0064 [0,1,0,1,0,0|2,0,0]=4 1105 B12R1.3441 CCC(=O)N1[C@H](CCC[C@H]1C)C WXVL_AN3062SB0064 [0,1,0,1,0,0|1,0,0]=3 1106 B12R1.3441 C[C@H]1CCC[C@H](N1C(=O)CO)C WXVL_AN3062SB2706 [0,1,0,1,0,0|2,0,0]=4 1107 B12R1.3524 CC1(CCCCC1)NC(=O)CO WXVL_AK0295SB2706 [0,1,0,1,0,0|2,0,0]=4 1108 B12R1.3524 CC1(CCCCC1)NC(=O)CO WXVL_AK0295SB2706 [0,1,0,1,0,0|2,0,0]=4 1109 B12R1.3524 CCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0064 [0,1,0,1,0,0|1,0,0]=3 1110 B12R1.3524 CCC(=O)NC1(CCCCC1)C WXVL_AK0295SB0064 [0,1,0,1,0,0|1,0,0]=3 1111 B12R1.1703 CCC(=O)N1CCN(C[C@@H]1C)C WXVL_AN3515SB0064 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.1596 CCC(=O)N1CC2CCC1C2 WXVL_AN3504SB0064 [0,0,0,2,0,0|1,0,0]=3 1113 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 WXVL_AN00626SB0064 [0,0,0,2,0,0|2,0,0]=4 1114 B12R2.1596 CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00442SB1121 [0,0,0,2,0,0|2,0,0]=4 1115 B12R2.1596 CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 WXVL_AK00442SB1121 [0,0,0,2,0,0|2,0,0]=4 1116 B12R2.1596 O=C(CO)N1CC2CCC1C2 WXVL_AN3504SB2706 [0,0,0,2,0,0|2,0,0]=4 1117 B12R2.1561 CCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0064 [0,0,0,2,0,0|1,0,0]=3 1118 B12R2.1561 CCC(=O)N1C2CCC1CC2 WXVL_AN00445SB0064 [0,0,0,2,0,0|1,0,0]=3 1119 B12R2.1561 O=C(CO)N1C2CCC1CC2 WXVL_AN00445SB2706 [0,0,0,2,0,0|2,0,0]=4 1120 B12R2.1561 O=C(CO)N1C2CCC1CC2 WXVL_AN00445SB2706 [0,0,0,2,0,0|2,0,0]=4 1121 B12R2.3810 CCC(=O)N1C2COCC1C2 WXVL_AN00557SB0064 [0,0,0,2,0,0|2,0,0]=4 1122 B12R2.3482 CCC(=O)N1CCOC2C1C2 WXVL_AN00639SB0064 [0,0,0,2,0,0|2,0,0]=4