0 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,0,0,0,0,0|2,0,1]=3 7 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,0,0,0,0,0|2,0,1]=3 19 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,0,0,0,0,0|2,0,1]=3 20 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,0,0,0,0,0|3,0,0]=3 30 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,0,0,0,0,0|3,0,0]=3 31 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,0,0,0,0,0|3,0,0]=3 34 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,0,0,0,0,0|2,0,0]=2 39 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,0,0,0,0,0|2,0,0]=2 40 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,0,0,0,0,0|3,0,0]=3 43 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,0,0,0,0,0|3,0,0]=3 44 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,0,0,0,0,0|2,0,0]=2 45 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,0,0,0,0,0|2,0,0]=2 46 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,0,0,0,0,0|2,0,0]=2 47 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,0,0,0,0,0|2,0,0]=2 48 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,0,0,0,0,0|3,0,0]=3 49 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,0,0,0,0,0|3,0,0]=3 50 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,0,0,0,0,0|4,0,0]=4 55 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,0,0,0,0,0|4,0,0]=4 59 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,0,0,0,0,0|4,0,0]=4 61 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,0,0,0,0,0|4,0,0]=4 62 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,0,0,0,0,0|4,0,0]=4 63 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 67 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [1,0,0,0,0,0|1,0,2]=4 68 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [1,0,0,0,0,0|1,0,2]=4 72 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|2,0,1]=4 73 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 75 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [1,0,0,0,0,0|1,0,2]=4 76 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|2,0,0]=3 81 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [1,0,0,0,0,0|2,0,0]=3 82 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 87 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [1,0,0,0,0,0|2,0,0]=3 88 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 89 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [1,0,0,0,0,0|2,0,0]=3 90 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 91 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [1,0,0,0,0,0|3,0,0]=4 92 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|1,0,2]=4 93 B9R0.46 C#CC(=O)NCCCCC WXVL_AK0076SB0338 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [1,0,0,0,0,0|1,0,2]=4 95 B9R0.46 C#CCCCNC(=O)CC WXVL_AK00218SB0064 [1,0,0,0,0,0|1,0,2]=4 96 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,0]=3 97 B9R0.46 CCC(=O)NCCCCO WXVL_AK0075SB0064 [1,0,0,0,0,0|2,0,0]=3 98 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,0]=3 99 B9R0.46 CCC(=O)NCCCOC WXVL_AK00637SB0064 [1,0,0,0,0,0|2,0,0]=3 100 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,0]=3 101 B9R0.46 CCC(=O)NCCCSC WXVL_AK0965SB0064 [1,0,0,0,0,0|2,0,0]=3 102 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,0]=2 103 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,0,0,0,0,0|1,0,0]=2 104 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.46 CCCCCNC(=O)CO WXVL_AK0076SB2706 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 107 B9R0.46 CCSCCNC(=O)CC WXVL_AK00494SB0064 [1,0,0,0,0,0|2,0,0]=3 108 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 109 B9R0.46 CCSCCNC(=O)CO WXVL_AK00494SB2706 [1,0,0,0,0,0|3,0,0]=4 110 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,0]=3 111 B9R0.46 CNC(=O)CCCCCBr WXVL_AK00442SB2192 [1,0,0,0,0,0|2,0,0]=3 112 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,0]=3 113 B9R0.46 CNC(=O)CCCCCO WXVL_AK00442SB2973 [1,0,0,0,0,0|2,0,0]=3 114 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.46 CNC(=O)COCCOC WXVL_AK00442SB0159 [1,0,0,0,0,0|3,0,0]=4 116 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,0,0,0,0,0|3,0,0]=4 117 B9R0.46 COCCCNC(=O)CO WXVL_AK00637SB2706 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.46 CSCCCNC(=O)CO WXVL_AK0965SB2706 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.46 O=C(CO)NCCCCO WXVL_AK0075SB2706 [1,0,0,0,0,0|3,0,0]=4 122 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [0,1,0,0,0,0|2,0,0]=3 125 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [0,1,0,0,0,0|2,0,0]=3 126 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [0,1,0,0,0,0|2,0,0]=3 127 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [0,1,0,0,0,0|2,0,0]=3 128 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [0,1,0,0,0,0|3,0,0]=4 129 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [0,1,0,0,0,0|3,0,0]=4 139 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [0,1,0,0,0,0|3,0,0]=4 140 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.2 COCCOCC(=O)NC(C)C WXVL_AK0030SB0159 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.2 COCCOCC(=O)NC(C)C WXVL_AK0030SB0159 [0,1,0,0,0,0|3,0,0]=4 148 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|1,0,2]=4 153 B11R0.4 C#CCC(=O)NCCCCCC WXVL_AK0286SB3070 [0,1,0,0,0,0|1,0,2]=4 154 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,1,0,0,0,0|1,0,2]=4 155 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,1,0,0,0,0|1,0,2]=4 156 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|1,0,1]=3 157 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,1,0,0,0,0|1,0,1]=3 158 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|2,0,1]=4 159 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,1,0,0,0,0|2,0,1]=4 160 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|2,0,1]=4 161 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,1,0,0,0,0|2,0,1]=4 162 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|1,0,2]=4 163 B11R0.4 C=CCC(=O)NCCCCCC WXVL_AK0286SB2732 [0,1,0,0,0,0|1,0,2]=4 164 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|1,0,1]=3 165 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,1,0,0,0,0|1,0,1]=3 166 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|2,0,1]=4 167 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,1,0,0,0,0|2,0,1]=4 168 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,1,0,0,0,0|2,0,1]=4 170 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|2,0,0]=3 173 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,1,0,0,0,0|2,0,0]=3 174 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|1,0,1]=3 177 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,1,0,0,0,0|1,0,1]=3 178 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,0]=2 179 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,1,0,0,0,0|1,0,0]=2 180 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.4 CCCCCCNC(=O)CC#N WXVL_AK0286SB0057 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,0]=2 183 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,1,0,0,0,0|1,0,0]=2 184 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|2,0,0]=3 185 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,1,0,0,0,0|2,0,0]=3 186 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|2,0,0]=3 187 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,1,0,0,0,0|2,0,0]=3 188 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|1,0,0]=2 189 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,1,0,0,0,0|1,0,0]=2 190 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|3,0,0]=4 191 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,1,0,0,0,0|3,0,0]=4 196 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|1,0,1]=3 199 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,1,0,0,0,0|1,0,1]=3 200 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,0|2,0,1]=4 201 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,1,0,0,0,0|2,0,1]=4 202 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,1,0,0,0,0|2,0,1]=4 203 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,1,0,0,0,0|2,0,1]=4 204 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,1,0,0,0,0|2,0,1]=4 205 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,1,0,0,0,0|1,0,2]=4 207 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,1,0,0,0,0|1,0,2]=4 208 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,1,0,0,0,0|2,0,1]=4 209 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,1,0,0,0,0|2,0,1]=4 210 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,1,0,0,0,0|2,0,1]=4 211 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,1,0,0,0,0|2,0,1]=4 212 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,1,0,0,0,0|2,0,1]=4 213 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,1,0,0,0,0|2,0,1]=4 214 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,1,0,0,0,0|2,0,1]=4 215 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,1,0,0,0,0|2,0,1]=4 216 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,1,0,0,0,0|2,0,0]=3 217 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,1,0,0,0,0|2,0,0]=3 218 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,1,0,0,0,0|2,0,0]=3 219 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,1,0,0,0,0|2,0,0]=3 220 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,1,0,0,0,0|1,0,0]=2 221 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,1,0,0,0,0|1,0,0]=2 222 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,1,0,0,0,0|1,1,0]=3 223 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,1,0,0,0,0|1,1,0]=3 224 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,1,0,0,0,0|2,0,0]=3 225 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,1,0,0,0,0|2,0,0]=3 226 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,1,0,0,0,0|2,0,0]=3 227 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,1,0,0,0,0|2,0,0]=3 228 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,1,0,0,0,0|2,0,0]=3 229 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,1,0,0,0,0|2,0,0]=3 230 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,1,0,0,0,0|3,0,0]=4 231 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,1,0,0,0,0|3,0,0]=4 232 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,1,0,0,0,0|2,0,0]=3 233 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,1,0,0,0,0|2,0,0]=3 234 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,1,0,0,0,0|2,0,0]=3 235 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,1,0,0,0,0|2,0,0]=3 236 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,1,0,0,0,0|2,0,0]=3 237 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,1,0,0,0,0|2,0,0]=3 238 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,1,0,0,0,0|2,0,0]=3 239 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,1,0,0,0,0|2,0,0]=3 240 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,1,0,0,0,0|2,1,0]=4 241 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,1,0,0,0,0|2,1,0]=4 242 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,1,0,0,0,0|2,1,0]=4 243 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,1,0,0,0,0|2,1,0]=4 244 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,1,0,0,0,0|2,1,0]=4 245 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,1,0,0,0,0|2,1,0]=4 246 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,1,0,0,0,0|3,0,0]=4 247 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,1,0,0,0,0|3,0,0]=4 248 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,1,0,0,0,0|3,0,0]=4 249 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,1,0,0,0,0|3,0,0]=4 250 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,1,0,0,0,0|2,1,0]=4 251 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,1,0,0,0,0|2,1,0]=4 252 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,1,0,0,0,0|3,0,0]=4 253 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,1,0,0,0,0|3,0,0]=4 254 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,1,0,0,0,0|3,0,0]=4 257 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,1,0,0,0,0|3,0,0]=4 258 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,1,0,0,0,0|3,0,0]=4 259 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,1,0,0,0,0|3,0,0]=4 260 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,1,0,0,0,0|3,0,0]=4 261 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,1,0,0,0,0|3,0,0]=4 262 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,1,0,0,0,0|3,0,0]=4 263 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,1,0,0,0,0|3,0,0]=4 264 B11R0.81 COCCOCC(=O)NCCF WXVL_AK00466SB0159 [0,1,0,0,0,0|3,0,0]=4 265 B11R0.81 COCCOCC(=O)NCCF WXVL_AK00466SB0159 [0,1,0,0,0,0|3,0,0]=4 266 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,1,0,0,0,0|3,0,0]=4 267 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,1,0,0,0,0|3,0,0]=4 268 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,1,0,0,0,0|3,0,0]=4 270 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,1,0,0,0,0|3,0,0]=4 271 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,1,0,0,0,0|3,0,0]=4 272 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,1,0,0,0,0|2,0,1]=4 273 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,1,0,0,0,0|2,0,1]=4 274 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,1,0,0,0,0|2,0,1]=4 275 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,1,0,0,0,0|2,0,1]=4 276 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,1,0,0,0,0|2,0,0]=3 277 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,1,0,0,0,0|2,0,0]=3 278 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,1,0,0,0,0|2,0,0]=3 279 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,1,0,0,0,0|2,0,0]=3 280 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,1,0,0,0,0|3,0,0]=4 282 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,1,0,0,0,0|2,0,1]=4 283 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,1,0,0,0,0|2,0,1]=4 284 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|3,0,0]=4 285 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,1,0,0,0,0|3,0,0]=4 286 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|3,0,0]=4 287 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,1,0,0,0,0|3,0,0]=4 288 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|3,0,0]=4 289 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,1,0,0,0,0|3,0,0]=4 290 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [0,1,0,0,0,0|3,0,0]=4 291 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [0,1,0,0,0,0|3,0,0]=4 292 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [0,1,0,0,0,0|3,0,0]=4 293 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [0,1,0,0,0,0|3,0,0]=4 294 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [0,1,0,0,0,0|3,0,0]=4 295 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [0,1,0,0,0,0|3,0,0]=4 296 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|2,0,0]=3 297 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,1,0,0,0,0|2,0,0]=3 298 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [0,1,0,0,0,0|2,0,0]=3 299 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [0,1,0,0,0,0|2,0,0]=3 300 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,1,0,0,0,0|3,0,0]=4 301 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,1,0,0,0,0|3,0,0]=4 302 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [0,1,0,0,0,0|2,0,0]=3 303 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [0,1,0,0,0,0|2,0,0]=3 304 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [0,1,0,0,0,0|2,0,0]=3 305 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [0,1,0,0,0,0|2,0,0]=3 306 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|3,0,0]=4 307 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,1,0,0,0,0|3,0,0]=4 308 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [0,1,0,0,0,0|3,0,0]=4 309 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [0,1,0,0,0,0|3,0,0]=4 310 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [0,1,0,0,0,0|3,0,0]=4 311 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [0,1,0,0,0,0|3,0,0]=4 312 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [0,1,0,0,0,0|3,0,0]=4 313 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [0,1,0,0,0,0|3,0,0]=4 314 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [0,1,0,0,0,0|3,0,0]=4 315 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [0,1,0,0,0,0|3,0,0]=4 316 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [0,1,0,0,0,0|3,0,0]=4 317 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [0,1,0,0,0,0|3,0,0]=4 318 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [0,1,0,0,0,0|3,0,0]=4 319 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [0,1,0,0,0,0|3,0,0]=4 320 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [0,1,0,0,0,0|3,0,0]=4 321 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [0,1,0,0,0,0|3,0,0]=4 322 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [0,1,0,0,0,0|3,0,0]=4 323 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [0,1,0,0,0,0|3,0,0]=4 324 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [0,1,0,0,0,0|3,0,0]=4 325 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [0,1,0,0,0,0|3,0,0]=4 326 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,1,0,0,0,0|1,0,0]=2 327 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,1,0,0,0,0|1,0,0]=2 328 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,1,0,0,0,0|1,0,1]=3 329 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,1,0,0,0,0|1,0,1]=3 330 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,1,0,0,0,0|2,0,1]=4 331 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,1,0,0,0,0|2,0,1]=4 332 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,1,0,0,0,0|2,0,1]=4 333 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,1,0,0,0,0|2,0,1]=4 334 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [0,1,0,0,0,0|3,0,0]=4 335 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [0,1,0,0,0,0|3,0,0]=4 336 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,1,0,0,0,0|1,0,1]=3 337 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,1,0,0,0,0|1,0,1]=3 338 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,1,0,0,0,0|2,0,1]=4 339 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,1,0,0,0,0|2,0,1]=4 340 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [0,1,0,0,0,0|3,0,0]=4 341 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [0,1,0,0,0,0|3,0,0]=4 342 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [0,1,0,0,0,0|3,0,0]=4 343 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,0,0,1,0,0|3,0,0]=4 345 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,0,0,1,0,0|3,0,0]=4 346 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [0,0,0,1,0,0|3,0,0]=4 347 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,0,0,1,0,0|1,0,2]=4 348 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,0,0,1,0,0|1,0,2]=4 349 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,0,0,1,0,0|1,0,0]=2 350 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,0,0,1,0,0|1,0,0]=2 351 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,0,0,1,0,0|2,0,0]=3 352 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,0,0,1,0,0|2,0,0]=3 353 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,0,0,1,0,0|2,0,0]=3 354 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,0,0,1,0,0|2,0,0]=3 355 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,0,0,1,0,0|2,0,0]=3 356 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,0,0,1,0,0|2,0,0]=3 357 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,0,0,1,0,0|2,0,0]=3 358 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,0,0,1,0,0|2,0,0]=3 359 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|1,0,0]=2 360 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,0,0,1,0,0|1,0,0]=2 361 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|2,0,0]=3 362 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,0,0,1,0,0|2,0,0]=3 363 B11R1.199 C/C=C/C(=O)N1CCC[C@H]1C WXVL_AN00593SB0340 [0,0,0,1,0,0|2,0,1]=4 364 B11R1.199 CC#CC(=O)N1CCC[C@H]1C WXVL_AN00593SB1240 [0,0,0,1,0,0|2,0,1]=4 365 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,0,0,1,0,0|2,0,0]=3 366 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|1,0,0]=2 367 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,0,0,1,0,0|1,0,0]=2 368 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|2,0,0]=3 369 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,0,0,1,0,0|2,0,0]=3 370 B11R1.199 COCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0090 [0,0,0,1,0,0|3,0,0]=4 371 B11R1.199 CSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1267 [0,0,0,1,0,0|3,0,0]=4 372 B11R1.200 CCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0073 [0,0,0,1,0,0|3,0,0]=4 373 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [0,0,0,1,0,0|3,0,0]=4 374 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [0,0,0,1,0,0|3,0,0]=4 375 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,0,0,1,0,0|2,0,1]=4 376 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,0,0,1,0,0|2,0,1]=4 377 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,0,0,1,0,0|2,0,1]=4 378 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,0,0,1,0,0|2,0,1]=4 379 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,0,0,1,0,0|2,0,0]=3 380 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,0,0,1,0,0|2,0,0]=3 381 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,0,0,1,0,0|3,0,0]=4 382 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,0,0,1,0,0|3,0,0]=4 383 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,0,0,1,0,0|3,0,0]=4 384 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,0,0,1,0,0|3,0,0]=4 385 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,0,0,1,0,0|1,0,0]=2 386 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,0,0,1,0,0|1,0,0]=2 387 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,0,0,1,0,0|3,0,0]=4 388 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,0,0,1,0,0|3,0,0]=4 389 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,0,0,1,0,0|3,0,0]=4 390 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,0,0,1,0,0|3,0,0]=4 391 B11R1.290 C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0340 [0,0,0,1,0,0|2,0,1]=4 392 B11R1.290 C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0340 [0,0,0,1,0,0|2,0,1]=4 393 B11R1.290 CC#CC(=O)NCCC1CC1 WXVL_AK00594SB1240 [0,0,0,1,0,0|2,0,1]=4 394 B11R1.290 CC#CC(=O)NCCC1CC1 WXVL_AK00594SB1240 [0,0,0,1,0,0|2,0,1]=4 395 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [0,0,0,1,0,0|2,0,0]=3 396 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [0,0,0,1,0,0|2,0,0]=3 397 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [0,0,0,1,0,0|3,0,0]=4 398 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [0,0,0,1,0,0|3,0,0]=4 399 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [0,0,0,1,0,0|3,0,0]=4 400 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [0,0,0,1,0,0|3,0,0]=4 401 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [0,0,0,1,0,0|2,0,0]=3 402 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [0,0,0,1,0,0|2,0,0]=3 403 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [0,0,0,1,0,0|3,0,0]=4 404 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [0,0,0,1,0,0|3,0,0]=4 405 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [0,0,0,1,0,0|3,0,0]=4 406 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [0,0,0,1,0,0|3,0,0]=4 407 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [0,0,0,1,0,0|3,0,0]=4 408 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [0,0,0,1,0,0|3,0,0]=4 409 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [0,0,0,1,0,0|3,0,0]=4 410 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [0,0,0,1,0,0|3,0,0]=4 411 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|2,0,0]=4 412 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [2,0,0,0,0,0|2,0,0]=4 413 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 414 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [2,0,0,0,0,0|2,0,0]=4 415 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 416 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [2,0,0,0,0,0|2,0,0]=4 417 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 418 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [2,0,0,0,0,0|2,0,0]=4 419 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 420 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [2,0,0,0,0,0|2,0,0]=4 421 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 422 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [2,0,0,0,0,0|2,0,0]=4 423 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 424 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [2,0,0,0,0,0|2,0,0]=4 425 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 426 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [2,0,0,0,0,0|1,0,0]=3 427 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 428 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [2,0,0,0,0,0|2,0,0]=4 429 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 430 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [2,0,0,0,0,0|2,0,0]=4 431 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 432 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [2,0,0,0,0,0|2,0,0]=4 433 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 434 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [2,0,0,0,0,0|2,0,0]=4 435 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 436 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [2,0,0,0,0,0|1,0,0]=3 437 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 438 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [2,0,0,0,0,0|2,0,0]=4 439 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 440 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [2,0,0,0,0,0|2,0,0]=4 441 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 442 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [2,0,0,0,0,0|2,0,0]=4 443 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 444 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [2,0,0,0,0,0|2,0,0]=4 445 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 446 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [2,0,0,0,0,0|2,0,0]=4 447 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [1,1,0,0,0,0|2,0,0]=4 448 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [1,1,0,0,0,0|2,0,0]=4 449 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [1,1,0,0,0,0|1,0,1]=4 450 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [1,1,0,0,0,0|1,0,1]=4 451 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [1,1,0,0,0,0|2,0,0]=4 452 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [1,1,0,0,0,0|2,0,0]=4 453 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,0]=3 454 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [1,1,0,0,0,0|1,0,0]=3 455 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [1,1,0,0,0,0|2,0,0]=4 456 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [1,1,0,0,0,0|2,0,0]=4 457 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|1,0,1]=4 458 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [1,1,0,0,0,0|1,0,1]=4 459 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 460 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [1,1,0,0,0,0|2,0,0]=4 461 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 462 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [1,1,0,0,0,0|2,0,0]=4 463 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|2,0,0]=4 464 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [1,1,0,0,0,0|2,0,0]=4 465 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|2,0,0]=4 466 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [1,1,0,0,0,0|2,0,0]=4 467 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 468 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [1,1,0,0,0,0|1,0,0]=3 469 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 470 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [1,1,0,0,0,0|1,0,1]=4 471 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [1,1,0,0,0,0|2,0,0]=4 477 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,1,0,0,0,0|2,0,0]=4 480 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,1,0,0,0,0|2,0,0]=4 481 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,1,0,0,0,0|2,0,0]=4 482 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,0]=3 484 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,1,0,0,0,0|1,0,0]=3 485 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,1,0,0,0,0|1,1,0]=4 486 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,1,0,0,0,0|1,1,0]=4 487 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,1,0,0,0,0|2,0,0]=4 488 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,1,0,0,0,0|2,0,0]=4 489 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,1,0,0,0,0|2,0,0]=4 490 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,1,0,0,0,0|2,0,0]=4 491 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,1,0,0,0,0|2,0,0]=4 492 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,1,0,0,0,0|2,0,0]=4 493 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,1,0,0,0,0|2,0,0]=4 494 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,1,0,0,0,0|2,0,0]=4 495 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,1,0,0,0,0|2,0,0]=4 496 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,1,0,0,0,0|2,0,0]=4 497 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,1,0,0,0,0|2,0,0]=4 498 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,1,0,0,0,0|2,0,0]=4 499 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,1,0,0,0,0|2,0,0]=4 500 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,1,0,0,0,0|2,0,0]=4 501 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,1,0,0,0,0|2,0,0]=4 502 B10R0.74 CCCCCCNC(=O)CC WXVL_AK0286SB0064 [1,1,0,0,0,0|2,0,0]=4 503 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|1,0,1]=4 504 B10R0.18 CCCNC(=O)CC(=O)OC WXVL_AK00504SB2790 [1,1,0,0,0,0|1,0,1]=4 505 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [1,1,0,0,0,0|2,0,0]=4 506 B10R0.55 CCC(=O)NCCOC(C)C WXVL_AK0128SB0064 [1,1,0,0,0,0|2,0,0]=4 507 B10R0.55 COC(=O)CCCCC(=O)N WXVL_AK0084SB1209 [1,1,0,0,0,0|1,0,1]=4 508 B10R0.55 COC(=O)CCCCC(=O)N WXVL_AK0084SB1209 [1,1,0,0,0,0|1,0,1]=4 509 B10R0.55 COC(=O)CCCNC(=O)C WXVL_AK00444SB0150 [1,1,0,0,0,0|1,0,1]=4 510 B10R0.55 COC(=O)CCCNC(=O)C WXVL_AK00444SB0150 [1,1,0,0,0,0|1,0,1]=4 511 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 512 B10R0.59 CCC(=O)NCCC(C)CO WXVL_AK4143SB0064 [1,1,0,0,0,0|2,0,0]=4 513 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [1,1,0,0,0,0|2,0,0]=4 514 B10R0.62 CCCCCNS(=O)(=O)CC WXVL_AK0076HU0028 [1,1,0,0,0,0|2,0,0]=4 515 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [1,1,0,0,0,0|2,0,0]=4 516 B10R0.75 CC(C)C(=O)NCCCCO WXVL_AK0075SB0052 [1,1,0,0,0,0|2,0,0]=4 517 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [1,1,0,0,0,0|2,0,0]=4 518 B10R0.75 CC(S)C(=O)NCCCCO WXVL_AK0075SB2708 [1,1,0,0,0,0|2,0,0]=4 519 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 520 B10R0.75 CCCCCNC(=O)C(=O)C WXVL_AK0076SB0051 [1,1,0,0,0,0|1,0,1]=4 521 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [1,1,0,0,0,0|1,0,0]=3 522 B10R0.75 CCCCCNC(=O)C(C)C WXVL_AK0076SB0052 [1,1,0,0,0,0|1,0,0]=3 523 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [1,1,0,0,0,0|1,0,0]=3 524 B10R0.75 CCCCCNC(=O)C(C)S WXVL_AK0076SB2708 [1,1,0,0,0,0|1,0,0]=3 525 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [1,1,0,0,0,0|2,0,0]=4 526 B10R0.75 CCCCCNC(=O)C(F)F WXVL_AK0076SB0079 [1,1,0,0,0,0|2,0,0]=4 527 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [1,1,0,0,0,0|1,0,0]=3 528 B10R0.75 CCCCCNC(=O)[C@@H](C)O WXVL_AK0076SB1085 [1,1,0,0,0,0|1,0,0]=3 529 B10R0.75 CCSCCNC(=O)C(C)C WXVL_AK00494SB0052 [1,1,0,0,0,0|2,0,0]=4 530 B10R0.75 CCSCCNC(=O)C(C)C WXVL_AK00494SB0052 [1,1,0,0,0,0|2,0,0]=4 531 B10R0.75 CCSCCNC(=O)C(C)S WXVL_AK00494SB2708 [1,1,0,0,0,0|2,0,0]=4 532 B10R0.75 CCSCCNC(=O)C(C)S WXVL_AK00494SB2708 [1,1,0,0,0,0|2,0,0]=4 533 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [1,1,0,0,0,0|2,0,0]=4 534 B10R0.75 CCSCCNC(=O)[C@@H](C)O WXVL_AK00494SB1085 [1,1,0,0,0,0|2,0,0]=4 535 B10R0.75 CN(C)C(=O)CCCCCBr WXVL_AN0032SB2192 [1,1,0,0,0,0|2,0,0]=4 536 B10R0.75 CN(C)C(=O)CCCCCBr WXVL_AN0032SB2192 [1,1,0,0,0,0|2,0,0]=4 537 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [1,1,0,0,0,0|2,0,0]=4 538 B10R0.75 CN(C)C(=O)CCCCCO WXVL_AN0032SB2973 [1,1,0,0,0,0|2,0,0]=4 539 B10R0.75 COCCCNC(=O)C(C)C WXVL_AK00637SB0052 [1,1,0,0,0,0|2,0,0]=4 540 B10R0.75 COCCCNC(=O)C(C)C WXVL_AK00637SB0052 [1,1,0,0,0,0|2,0,0]=4 541 B10R0.75 COCCCNC(=O)C(C)S WXVL_AK00637SB2708 [1,1,0,0,0,0|2,0,0]=4 542 B10R0.75 COCCCNC(=O)C(C)S WXVL_AK00637SB2708 [1,1,0,0,0,0|2,0,0]=4 543 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [1,1,0,0,0,0|2,0,0]=4 544 B10R0.75 COCCCNC(=O)[C@@H](C)O WXVL_AK00637SB1085 [1,1,0,0,0,0|2,0,0]=4 545 B10R0.75 CSCCCNC(=O)C(C)C WXVL_AK0965SB0052 [1,1,0,0,0,0|2,0,0]=4 546 B10R0.75 CSCCCNC(=O)C(C)C WXVL_AK0965SB0052 [1,1,0,0,0,0|2,0,0]=4 547 B10R0.75 CSCCCNC(=O)C(C)S WXVL_AK0965SB2708 [1,1,0,0,0,0|2,0,0]=4 548 B10R0.75 CSCCCNC(=O)C(C)S WXVL_AK0965SB2708 [1,1,0,0,0,0|2,0,0]=4 549 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [1,1,0,0,0,0|2,0,0]=4 550 B10R0.75 CSCCCNC(=O)[C@@H](C)O WXVL_AK0965SB1085 [1,1,0,0,0,0|2,0,0]=4 551 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [1,1,0,0,0,0|2,0,0]=4 552 B10R0.75 C[C@@H](O)C(=O)NCCCCO WXVL_AK0075SB1085 [1,1,0,0,0,0|2,0,0]=4 553 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,2,0,0,0,0|2,0,0]=4 554 B12R0.4 CC(C)CC(=O)NCCCCCO WXVL_AK0077SB0063 [0,2,0,0,0,0|2,0,0]=4 555 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|1,0,0]=3 556 B12R0.4 CC(C)NC(=O)CCCCCCBr WXVL_AK0030SB1386 [0,2,0,0,0,0|1,0,0]=3 557 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,2,0,0,0,0|2,0,0]=4 558 B12R0.4 CC(O)CC(=O)NCCCCCO WXVL_AK0077SB3643 [0,2,0,0,0,0|2,0,0]=4 559 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|1,0,1]=4 560 B12R0.4 CCCCC/C=C/C(=O)NC(C)C WXVL_AK0030SB3331 [0,2,0,0,0,0|1,0,1]=4 561 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|1,0,0]=3 562 B12R0.4 CCCCCCCC(=O)NC(C)C WXVL_AK0030SB0393 [0,2,0,0,0,0|1,0,0]=3 563 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|1,0,1]=4 564 B12R0.4 CCCCCCNC(=O)C=C(C)C WXVL_AK0286SB0342 [0,2,0,0,0,0|1,0,1]=4 565 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|1,0,0]=3 566 B12R0.4 CCCCCCNC(=O)CC(C)C WXVL_AK0286SB0063 [0,2,0,0,0,0|1,0,0]=3 567 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|1,0,0]=3 568 B12R0.4 CCCCCCNC(=O)CC(C)O WXVL_AK0286SB3643 [0,2,0,0,0,0|1,0,0]=3 569 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|2,0,0]=4 570 B12R0.4 CCCCCCNC(=O)CN(C)C WXVL_AK0286SB0085 [0,2,0,0,0,0|2,0,0]=4 571 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,2,0,0,0,0|2,0,0]=4 572 B12R0.4 CCOCCCNC(=O)CC(C)C WXVL_AK0072SB0063 [0,2,0,0,0,0|2,0,0]=4 573 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,2,0,0,0,0|2,0,0]=4 574 B12R0.4 CCOCCCNC(=O)CC(C)O WXVL_AK0072SB3643 [0,2,0,0,0,0|2,0,0]=4 575 B12R0.46 CC(C)N(C)C(=O)CCCCCBr WXVL_AN0073SB2192 [0,2,0,0,0,0|2,0,0]=4 576 B12R0.46 CC(C)N(C)C(=O)CCCCCBr WXVL_AN0073SB2192 [0,2,0,0,0,0|2,0,0]=4 577 B12R0.46 CC(C)N(C)C(=O)CCCCCO WXVL_AN0073SB2973 [0,2,0,0,0,0|2,0,0]=4 578 B12R0.46 CC(C)N(C)C(=O)CCCCCO WXVL_AN0073SB2973 [0,2,0,0,0,0|2,0,0]=4 579 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|2,0,0]=4 580 B12R0.46 CCCCCNC(=O)C(=O)C(C)C WXVL_AK0076SB2578 [0,2,0,0,0,0|2,0,0]=4 581 B12R0.46 CCCCCNC(=O)C(O)C(C)C WXVL_AK0076SB1147 [0,2,0,0,0,0|2,0,0]=4 582 B12R0.46 CCCCCNC(=O)C(O)C(C)C WXVL_AK0076SB1147 [0,2,0,0,0,0|2,0,0]=4 583 B12R0.113 C#C[C@@H](C)NC(=O)CCCCCBr WXVL_AK00735SB2192 [0,2,0,0,0,0|2,0,0]=4 584 B12R0.113 C#C[C@@H](C)NC(=O)CCCCCBr WXVL_AK00735SB2192 [0,2,0,0,0,0|2,0,0]=4 585 B12R0.113 C#C[C@@H](C)NC(=O)CCCCCO WXVL_AK00735SB2973 [0,2,0,0,0,0|2,0,0]=4 586 B12R0.113 C#C[C@@H](C)NC(=O)CCCCCO WXVL_AK00735SB2973 [0,2,0,0,0,0|2,0,0]=4 587 B12R0.113 C=CC(C)NC(=O)CCCCCBr WXVL_AK00769SB2192 [0,2,0,0,0,0|2,0,0]=4 588 B12R0.113 C=CC(C)NC(=O)CCCCCBr WXVL_AK00769SB2192 [0,2,0,0,0,0|2,0,0]=4 589 B12R0.113 C=CC(C)NC(=O)CCCCCO WXVL_AK00769SB2973 [0,2,0,0,0,0|2,0,0]=4 590 B12R0.113 C=CC(C)NC(=O)CCCCCO WXVL_AK00769SB2973 [0,2,0,0,0,0|2,0,0]=4 591 B12R0.113 CC(C#N)NC(=O)CCCCCBr WXVL_AK00810SB2192 [0,2,0,0,0,0|2,0,0]=4 592 B12R0.113 CC(C#N)NC(=O)CCCCCBr WXVL_AK00810SB2192 [0,2,0,0,0,0|2,0,0]=4 593 B12R0.113 CC(C#N)NC(=O)CCCCCO WXVL_AK00810SB2973 [0,2,0,0,0,0|2,0,0]=4 594 B12R0.113 CC(C#N)NC(=O)CCCCCO WXVL_AK00810SB2973 [0,2,0,0,0,0|2,0,0]=4 595 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [0,2,0,0,0,0|2,0,0]=4 596 B12R0.113 CCCCCNC(=O)CC(C)CC WXVL_AK0076SB0353 [0,2,0,0,0,0|2,0,0]=4 597 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [0,2,0,0,0,0|2,0,0]=4 598 B12R0.113 CCCCCNC(=O)CC(O)CC WXVL_AK0076SB4092 [0,2,0,0,0,0|2,0,0]=4 599 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [0,2,0,0,0,0|2,0,0]=4 600 B12R0.113 CCCCCNC(=O)C[C@H](C)CC WXVL_AK0076SB8650 [0,2,0,0,0,0|2,0,0]=4 601 B12R0.113 CC[C@H](C)NC(=O)CCCCCBr WXVL_AK00678SB2192 [0,2,0,0,0,0|2,0,0]=4 602 B12R0.113 CC[C@H](C)NC(=O)CCCCCBr WXVL_AK00678SB2192 [0,2,0,0,0,0|2,0,0]=4 603 B12R0.113 CC[C@H](C)NC(=O)CCCCCO WXVL_AK00678SB2973 [0,2,0,0,0,0|2,0,0]=4 604 B12R0.113 CC[C@H](C)NC(=O)CCCCCO WXVL_AK00678SB2973 [0,2,0,0,0,0|2,0,0]=4 605 B12R0.113 C[C@@H](CF)NC(=O)CCCCCBr WXVL_AK00558SB2192 [0,2,0,0,0,0|2,0,0]=4 606 B12R0.113 C[C@@H](CF)NC(=O)CCCCCBr WXVL_AK00558SB2192 [0,2,0,0,0,0|2,0,0]=4 607 B12R0.113 C[C@@H](CF)NC(=O)CCCCCO WXVL_AK00558SB2973 [0,2,0,0,0,0|2,0,0]=4 608 B12R0.113 C[C@@H](CF)NC(=O)CCCCCO WXVL_AK00558SB2973 [0,2,0,0,0,0|2,0,0]=4 609 B12R0.113 C[C@@H](CO)NC(=O)CCCCCBr WXVL_AK0109SB2192 [0,2,0,0,0,0|2,0,0]=4 610 B12R0.113 C[C@@H](CO)NC(=O)CCCCCBr WXVL_AK0109SB2192 [0,2,0,0,0,0|2,0,0]=4 611 B12R0.113 C[C@@H](CO)NC(=O)CCCCCO WXVL_AK0109SB2973 [0,2,0,0,0,0|2,0,0]=4 612 B12R0.113 C[C@@H](CO)NC(=O)CCCCCO WXVL_AK0109SB2973 [0,2,0,0,0,0|2,0,0]=4 613 B12R0.125 CC(C)(C)NC(=O)CCCCCBr WXVL_AK0024SB2192 [0,2,0,0,0,0|2,0,0]=4 614 B12R0.125 CC(C)(C)NC(=O)CCCCCBr WXVL_AK0024SB2192 [0,2,0,0,0,0|2,0,0]=4 615 B12R0.125 CC(C)(C)NC(=O)CCCCCO WXVL_AK0024SB2973 [0,2,0,0,0,0|2,0,0]=4 616 B12R0.125 CC(C)(C)NC(=O)CCCCCO WXVL_AK0024SB2973 [0,2,0,0,0,0|2,0,0]=4 617 B12R0.125 CCCCCNC(=O)CC(C)(C)C WXVL_AK0076SB0062 [0,2,0,0,0,0|2,0,0]=4 618 B12R0.125 CCCCCNC(=O)CC(C)(C)C WXVL_AK0076SB0062 [0,2,0,0,0,0|2,0,0]=4 619 B12R0.125 CCCCCNC(=O)CC(C)(C)O WXVL_AK0076SB0163 [0,2,0,0,0,0|2,0,0]=4 620 B12R0.125 CCCCCNC(=O)CC(C)(C)O WXVL_AK0076SB0163 [0,2,0,0,0,0|2,0,0]=4 621 B12R0.141 CCCCCC(C)C(=O)NC(C)C WXVL_AK0030SB0394 [0,2,0,0,0,0|1,0,0]=3 622 B12R0.141 CCCCCC(C)C(=O)NC(C)C WXVL_AK0030SB0394 [0,2,0,0,0,0|1,0,0]=3 623 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|1,0,1]=4 624 B12R0.1 C/C=C/C(=O)NCCCCCCO WXVL_AK0751SB0340 [0,2,0,0,0,0|1,0,1]=4 625 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|1,0,1]=4 626 B12R0.1 C/C=C/C(=O)NCCOCCCC WXVL_AK9674SB0340 [0,2,0,0,0,0|1,0,1]=4 627 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|1,0,1]=4 628 B12R0.1 CC#CC(=O)NCCCCCCO WXVL_AK0751SB1240 [0,2,0,0,0,0|1,0,1]=4 629 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|1,0,1]=4 630 B12R0.1 CC#CC(=O)NCCOCCCC WXVL_AK9674SB1240 [0,2,0,0,0,0|1,0,1]=4 631 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|1,0,0]=3 632 B12R0.1 CCCC(=O)NCCCCCCO WXVL_AK0751SB0073 [0,2,0,0,0,0|1,0,0]=3 633 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,2,0,0,0,0|2,0,0]=4 634 B12R0.1 CCCC(=O)NCCOCCOC WXVL_AK2206SB0073 [0,2,0,0,0,0|2,0,0]=4 635 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|1,0,0]=3 636 B12R0.1 CCCCCCCCC(=O)NCC WXVL_AK00476SB0409 [0,2,0,0,0,0|1,0,0]=3 637 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|1,0,0]=3 638 B12R0.1 CCCCOCCNC(=O)CCC WXVL_AK9674SB0073 [0,2,0,0,0,0|1,0,0]=3 639 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|2,0,0]=4 640 B12R0.1 CCCCOCCNC(=O)COC WXVL_AK9674SB0090 [0,2,0,0,0,0|2,0,0]=4 641 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|2,0,0]=4 642 B12R0.1 CCCCOCCNC(=O)CSC WXVL_AK9674SB1267 [0,2,0,0,0,0|2,0,0]=4 643 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|1,0,0]=3 644 B12R0.1 CCNC(=O)CCCCCCCBr WXVL_AK00476SB0559 [0,2,0,0,0,0|1,0,0]=3 645 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|1,0,0]=3 646 B12R0.1 CCNC(=O)CCCCCCCO WXVL_AK00476SB1306 [0,2,0,0,0,0|1,0,0]=3 647 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|2,0,0]=4 648 B12R0.1 COCC(=O)NCCCCCCO WXVL_AK0751SB0090 [0,2,0,0,0,0|2,0,0]=4 649 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|2,0,0]=4 650 B12R0.1 CSCC(=O)NCCCCCCO WXVL_AK0751SB1267 [0,2,0,0,0,0|2,0,0]=4 651 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|1,0,1]=4 652 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC WXVL_AK0286SB0343 [0,2,0,0,0,0|1,0,1]=4 653 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|2,0,0]=4 654 B12R0.49 CCC(=O)C(=O)NCCCCCO WXVL_AK0077SB0344 [0,2,0,0,0,0|2,0,0]=4 655 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,2,0,0,0,0|2,0,0]=4 656 B12R0.49 CCC(C)C(=O)NCCCCCO WXVL_AK0077SB0054 [0,2,0,0,0,0|2,0,0]=4 657 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,0]=3 658 B12R0.49 CCCCCCNC(=O)C(=O)CC WXVL_AK0286SB0344 [0,2,0,0,0,0|1,0,0]=3 659 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|1,0,0]=3 660 B12R0.49 CCCCCCNC(=O)C(C)CC WXVL_AK0286SB0054 [0,2,0,0,0,0|1,0,0]=3 661 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|2,0,0]=4 662 B12R0.49 CCCCCCNC(=O)[C@@H](C)OC WXVL_AK0286SB2926 [0,2,0,0,0,0|2,0,0]=4 663 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|1,0,0]=3 664 B12R0.49 CCCCCCNC(=O)[C@@H](O)CC WXVL_AK0286SB3573 [0,2,0,0,0,0|1,0,0]=3 665 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|1,0,0]=3 666 B12R0.49 CCCCCCNC(=O)[C@H](C)CC WXVL_AK0286SB00054 [0,2,0,0,0,0|1,0,0]=3 667 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|2,0,0]=4 668 B12R0.49 CCOCCCNC(=O)C(=O)CC WXVL_AK0072SB0344 [0,2,0,0,0,0|2,0,0]=4 669 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,2,0,0,0,0|2,0,0]=4 670 B12R0.49 CCOCCCNC(=O)C(C)CC WXVL_AK0072SB0054 [0,2,0,0,0,0|2,0,0]=4 671 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,2,0,0,0,0|2,0,0]=4 672 B12R0.49 CCOCCCNC(=O)[C@@H](O)CC WXVL_AK0072SB3573 [0,2,0,0,0,0|2,0,0]=4 673 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,2,0,0,0,0|2,0,0]=4 674 B12R0.49 CCOCCCNC(=O)[C@H](C)CC WXVL_AK0072SB00054 [0,2,0,0,0,0|2,0,0]=4 675 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,2,0,0,0,0|2,0,0]=4 676 B12R0.49 CC[C@@H](C)C(=O)NCCCCCO WXVL_AK0077SB00054 [0,2,0,0,0,0|2,0,0]=4 677 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,2,0,0,0,0|2,0,0]=4 678 B12R0.49 CC[C@H](O)C(=O)NCCCCCO WXVL_AK0077SB3573 [0,2,0,0,0,0|2,0,0]=4 679 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|1,0,0]=3 680 B12R0.101 CCCCC(C)CCC(=O)NCC WXVL_AK00476SB1315 [0,2,0,0,0,0|1,0,0]=3 681 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,2,0,0,0,0|1,0,1]=4 682 B12R0.101 CCCNC(=O)NCC(=O)OCC WXVL_AK00504YV0151 [0,2,0,0,0,0|1,0,1]=4 683 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,2,0,0,0,0|2,0,0]=4 684 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0037 [0,2,0,0,0,0|2,0,0]=4 685 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|0,0,1]=3 686 B12R0.114 CCCCCNC(=O)C(=O)OCC WXVL_AK0076SB4144 [0,2,0,0,0,0|0,0,1]=3 687 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [0,2,0,0,0,0|2,0,0]=4 688 B12R0.114 CCCCCNC(=O)C(C)CCC WXVL_AK0076SB0352 [0,2,0,0,0,0|2,0,0]=4 689 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [0,2,0,0,0,0|2,0,0]=4 690 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC WXVL_AK0076SB3627 [0,2,0,0,0,0|2,0,0]=4 691 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,2,0,0,0,0|1,0,1]=4 692 B12R0.114 CCOC(=O)C(=O)NCCCCO WXVL_AK0075SB4144 [0,2,0,0,0,0|1,0,1]=4 693 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,2,0,0,0,0|1,0,1]=4 694 B12R0.114 CCOC(=O)C(=O)NCCCOC WXVL_AK00637SB4144 [0,2,0,0,0,0|1,0,1]=4 695 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,2,0,0,0,0|1,0,1]=4 696 B12R0.114 CCOC(=O)C(=O)NCCCSC WXVL_AK0965SB4144 [0,2,0,0,0,0|1,0,1]=4 697 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,2,0,0,0,0|1,0,1]=4 698 B12R0.114 CCOC(=O)C(=O)NCCSCC WXVL_AK00494SB4144 [0,2,0,0,0,0|1,0,1]=4 699 B12R0.114 CN(CCO)C(=O)CCCCCBr WXVL_AN2670SB2192 [0,2,0,0,0,0|2,0,0]=4 700 B12R0.114 CN(CCO)C(=O)CCCCCBr WXVL_AN2670SB2192 [0,2,0,0,0,0|2,0,0]=4 701 B12R0.114 CN(CCO)C(=O)CCCCCO WXVL_AN2670SB2973 [0,2,0,0,0,0|2,0,0]=4 702 B12R0.114 CN(CCO)C(=O)CCCCCO WXVL_AN2670SB2973 [0,2,0,0,0,0|2,0,0]=4 703 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|1,0,1]=4 704 B12R0.206 C#CCCC(=O)NCCCCCC WXVL_AK0286SB2189 [0,2,0,0,0,0|1,0,1]=4 705 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,2,0,0,0,0|0,0,2]=4 706 B12R0.206 C#CCCCCNC(=O)COCC WXVL_AK00614SB0091 [0,2,0,0,0,0|0,0,2]=4 707 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|1,0,1]=4 708 B12R0.206 C=CCCC(=O)NCCCCCC WXVL_AK0286SB1035 [0,2,0,0,0,0|1,0,1]=4 709 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,2,0,0,0,0|1,0,1]=4 710 B12R0.206 C=CCNC(=O)CCCCCCBr WXVL_AK00561SB1386 [0,2,0,0,0,0|1,0,1]=4 711 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,2,0,0,0,0|1,0,1]=4 712 B12R0.206 C=CCNC(=O)CCCCCCC WXVL_AK00561SB0393 [0,2,0,0,0,0|1,0,1]=4 713 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,1]=4 714 B12R0.206 CCCCC/C=C/C(=O)NCCC WXVL_AK00504SB3331 [0,2,0,0,0,0|1,0,1]=4 715 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|1,0,1]=4 716 B12R0.206 CCCCC/C=C/C(=O)NCCF WXVL_AK00466SB3331 [0,2,0,0,0,0|1,0,1]=4 717 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,2,0,0,0,0|1,0,1]=4 718 B12R0.206 CCCCCCCC(=O)NCC#N WXVL_AK0683SB0393 [0,2,0,0,0,0|1,0,1]=4 719 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 720 B12R0.206 CCCCCCCC(=O)NCCC WXVL_AK00504SB0393 [0,2,0,0,0,0|1,0,0]=3 721 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|1,0,0]=3 722 B12R0.206 CCCCCCCC(=O)NCCF WXVL_AK00466SB0393 [0,2,0,0,0,0|1,0,0]=3 723 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,2,0,0,0,0|1,0,1]=4 724 B12R0.206 CCCCCCNC(=O)/C=C/CBr WXVL_AK0286SB0424 [0,2,0,0,0,0|1,0,1]=4 725 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 726 B12R0.206 CCCCCCNC(=O)CCOC WXVL_AK0286SB0156 [0,2,0,0,0,0|1,0,0]=3 727 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,0,0]=3 728 B12R0.206 CCCCCCNC(=O)CCSC WXVL_AK0286SB0361 [0,2,0,0,0,0|1,0,0]=3 729 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|0,0,0]=2 730 B12R0.206 CCCCCCNC(=O)COCC WXVL_AK0286SB0091 [0,2,0,0,0,0|0,0,0]=2 731 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|0,1,0]=3 732 B12R0.206 CCCCCCNC(=O)CSCC WXVL_AK0286SB0002 [0,2,0,0,0,0|0,1,0]=3 733 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|1,0,0]=3 734 B12R0.206 CCCCCCNC(=O)NCCCl WXVL_AK0286YV0092 [0,2,0,0,0,0|1,0,0]=3 735 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 736 B12R0.206 CCCNC(=O)CCCCCCBr WXVL_AK00504SB1386 [0,2,0,0,0,0|1,0,0]=3 737 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|1,0,0]=3 738 B12R0.206 CCOCC(=O)NCCCCCO WXVL_AK0077SB0091 [0,2,0,0,0,0|1,0,0]=3 739 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,2,0,0,0,0|2,0,0]=4 740 B12R0.206 CCOCC(=O)NCCNCCO WXVL_AK0954SB0091 [0,2,0,0,0,0|2,0,0]=4 741 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 742 B12R0.206 CCOCCCNC(=O)CCOC WXVL_AK0072SB0156 [0,2,0,0,0,0|2,0,0]=4 743 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|2,0,0]=4 744 B12R0.206 CCOCCCNC(=O)CCSC WXVL_AK0072SB0361 [0,2,0,0,0,0|2,0,0]=4 745 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|1,0,0]=3 746 B12R0.206 CCOCCCNC(=O)COCC WXVL_AK0072SB0091 [0,2,0,0,0,0|1,0,0]=3 747 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|1,1,0]=4 748 B12R0.206 CCOCCCNC(=O)CSCC WXVL_AK0072SB0002 [0,2,0,0,0,0|1,1,0]=4 749 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 750 B12R0.206 CCOCCCNC(=O)NCCCl WXVL_AK0072YV0092 [0,2,0,0,0,0|2,0,0]=4 751 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|1,1,0]=4 752 B12R0.206 CCSCC(=O)NCCCCCO WXVL_AK0077SB0002 [0,2,0,0,0,0|1,1,0]=4 753 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 754 B12R0.206 COCCC(=O)NCCCCCO WXVL_AK0077SB0156 [0,2,0,0,0,0|2,0,0]=4 755 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|2,0,0]=4 756 B12R0.206 CSCCC(=O)NCCCCCO WXVL_AK0077SB0361 [0,2,0,0,0,0|2,0,0]=4 757 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,2,0,0,0,0|1,0,1]=4 758 B12R0.206 N#CCNC(=O)CCCCCCBr WXVL_AK0683SB1386 [0,2,0,0,0,0|1,0,1]=4 759 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|1,0,0]=3 760 B12R0.206 O=C(CCCCCCBr)NCCF WXVL_AK00466SB1386 [0,2,0,0,0,0|1,0,0]=3 761 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 762 B12R0.206 O=C(NCCCl)NCCCCCO WXVL_AK0077YV0092 [0,2,0,0,0,0|2,0,0]=4 763 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|0,0,1]=3 764 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,2,0,0,0,0|0,0,1]=3 765 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,2,0,0,0,0|1,0,1]=4 766 B12R0.239 CCOC(=O)CC(=O)NCCCO WXVL_AK0073SB3094 [0,2,0,0,0,0|1,0,1]=4 767 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,2,0,0,0,0|1,0,1]=4 768 B12R0.239 CCOC(=O)CC(=O)NCCSC WXVL_AK00440SB3094 [0,2,0,0,0,0|1,0,1]=4 769 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,2,0,0,0,0|1,0,1]=4 770 B12R0.276 CCNC(=O)CCCCC(=O)OC WXVL_AK00476SB1209 [0,2,0,0,0,0|1,0,1]=4 771 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,2,0,0,0,0|2,0,0]=4 772 B12R0.277 CCCC(=O)NCCCCN(C)C WXVL_AK0097SB0073 [0,2,0,0,0,0|2,0,0]=4 773 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|0,0,1]=3 774 B12R0.285 CCCC(=O)NCCC(=O)OCC WXVL_AK0465SB0073 [0,2,0,0,0,0|0,0,1]=3 775 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,2,0,0,0,0|1,0,1]=4 776 B12R0.285 CCOC(=O)CCNC(=O)COC WXVL_AK0465SB0090 [0,2,0,0,0,0|1,0,1]=4 777 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,2,0,0,0,0|1,0,1]=4 778 B12R0.285 CCOC(=O)CCNC(=O)CSC WXVL_AK0465SB1267 [0,2,0,0,0,0|1,0,1]=4 779 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,2,0,0,0,0|2,0,0]=4 780 B12R0.434 CCCCCCNS(=O)(=O)CCC WXVL_AK0286HU0030 [0,2,0,0,0,0|2,0,0]=4 781 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CC WXVL_AK00678SB3094 [0,2,0,0,0,0|1,0,1]=4 782 B12R0.68 CCOC(=O)CC(=O)N[C@@H](C)CC WXVL_AK00678SB3094 [0,2,0,0,0,0|1,0,1]=4 783 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,2,0,0,0,0|1,0,1]=4 784 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)OCC WXVL_AK1648SB0073 [0,2,0,0,0,0|1,0,1]=4 785 B12R0.69 CCC[C@H](C)NC(=O)C(=O)OCC WXVL_AK00682SB4144 [0,2,0,0,0,0|1,0,1]=4 786 B12R0.69 CCC[C@H](C)NC(=O)C(=O)OCC WXVL_AK00682SB4144 [0,2,0,0,0,0|1,0,1]=4 787 B12R0.283 CCOC(=O)CC(=O)NCC(C)C WXVL_AK00544SB3094 [0,2,0,0,0,0|1,0,1]=4 788 B12R0.283 CCOC(=O)CC(=O)NCC(C)C WXVL_AK00544SB3094 [0,2,0,0,0,0|1,0,1]=4 789 B12R0.283 CCOC(=O)CC(=O)NCC(C)O WXVL_AK0052SB3094 [0,2,0,0,0,0|1,0,1]=4 790 B12R0.283 CCOC(=O)CC(=O)NCC(C)O WXVL_AK0052SB3094 [0,2,0,0,0,0|1,0,1]=4 791 B12R0.283 CCOC(=O)CC(=O)NC[C@H](C)O WXVL_AK0113SB3094 [0,2,0,0,0,0|1,0,1]=4 792 B12R0.283 CCOC(=O)CC(=O)NC[C@H](C)O WXVL_AK0113SB3094 [0,2,0,0,0,0|1,0,1]=4 793 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [0,2,0,0,0,0|2,0,0]=4 794 B12R0.607 CCCC[C@H](CO)NC(=O)CCC WXVL_AK00635SB0073 [0,2,0,0,0,0|2,0,0]=4 795 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC WXVL_AK00504HU0462 [0,2,0,0,0,0|2,0,0]=4 796 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC WXVL_AK00504HU0462 [0,2,0,0,0,0|2,0,0]=4 797 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,2,0,0,0,0|2,0,0]=4 798 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,2,0,0,0,0|2,0,0]=4 799 B12R0.47 C#CCCNC(=O)CCCCCBr WXVL_AK3109SB2192 [0,2,0,0,0,0|2,0,0]=4 800 B12R0.47 C#CCCNC(=O)CCCCCBr WXVL_AK3109SB2192 [0,2,0,0,0,0|2,0,0]=4 801 B12R0.47 C#CCCNC(=O)CCCCCO WXVL_AK3109SB2973 [0,2,0,0,0,0|2,0,0]=4 802 B12R0.47 C#CCCNC(=O)CCCCCO WXVL_AK3109SB2973 [0,2,0,0,0,0|2,0,0]=4 803 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,2,0,0,0,0|2,0,0]=4 804 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,2,0,0,0,0|2,0,0]=4 805 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,2,0,0,0,0|2,0,0]=4 806 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,2,0,0,0,0|2,0,0]=4 807 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,2,0,0,0,0|2,0,0]=4 808 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,2,0,0,0,0|2,0,0]=4 809 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,2,0,0,0,0|2,0,0]=4 810 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,2,0,0,0,0|2,0,0]=4 811 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,2,0,0,0,0|1,0,0]=3 812 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,2,0,0,0,0|1,0,0]=3 813 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,2,0,0,0,0|2,0,0]=4 814 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,2,0,0,0,0|2,0,0]=4 815 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,2,0,0,0,0|2,0,0]=4 816 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,2,0,0,0,0|2,0,0]=4 817 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,2,0,0,0,0|2,0,0]=4 818 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,2,0,0,0,0|2,0,0]=4 819 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,2,0,0,0,0|2,0,0]=4 820 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,2,0,0,0,0|2,0,0]=4 821 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,2,0,0,0,0|2,0,0]=4 822 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,2,0,0,0,0|2,0,0]=4 823 B12R0.47 CCO/C=C/C(=O)NCCCCO WXVL_AK0075SB3226 [0,2,0,0,0,0|2,0,0]=4 824 B12R0.47 CCO/C=C/C(=O)NCCCCO WXVL_AK0075SB3226 [0,2,0,0,0,0|2,0,0]=4 825 B12R0.47 CCO/C=C/C(=O)NCCCOC WXVL_AK00637SB3226 [0,2,0,0,0,0|2,0,0]=4 826 B12R0.47 CCO/C=C/C(=O)NCCCOC WXVL_AK00637SB3226 [0,2,0,0,0,0|2,0,0]=4 827 B12R0.47 CCO/C=C/C(=O)NCCCSC WXVL_AK0965SB3226 [0,2,0,0,0,0|2,0,0]=4 828 B12R0.47 CCO/C=C/C(=O)NCCCSC WXVL_AK0965SB3226 [0,2,0,0,0,0|2,0,0]=4 829 B12R0.47 CCO/C=C/C(=O)NCCSCC WXVL_AK00494SB3226 [0,2,0,0,0,0|2,0,0]=4 830 B12R0.47 CCO/C=C/C(=O)NCCSCC WXVL_AK00494SB3226 [0,2,0,0,0,0|2,0,0]=4 831 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,2,0,0,0,0|2,0,0]=4 832 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,2,0,0,0,0|2,0,0]=4 833 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,2,0,0,0,0|2,0,0]=4 834 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,2,0,0,0,0|2,0,0]=4 835 B12R0.47 N#CCCNC(=O)CCCCCBr WXVL_AK0087SB2192 [0,2,0,0,0,0|2,0,0]=4 836 B12R0.47 N#CCCNC(=O)CCCCCBr WXVL_AK0087SB2192 [0,2,0,0,0,0|2,0,0]=4 837 B12R0.47 N#CCCNC(=O)CCCCCO WXVL_AK0087SB2973 [0,2,0,0,0,0|2,0,0]=4 838 B12R0.47 N#CCCNC(=O)CCCCCO WXVL_AK0087SB2973 [0,2,0,0,0,0|2,0,0]=4 839 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,2,0,0,0,0|2,0,0]=4 840 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,2,0,0,0,0|2,0,0]=4 841 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,2,0,0,0,0|2,0,0]=4 842 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,2,0,0,0,0|2,0,0]=4 843 B12R0.95 CCOCC(=O)NCCOC(C)C WXVL_AK0128SB0091 [0,2,0,0,0,0|2,0,0]=4 844 B12R0.95 CCOCC(=O)NCCOC(C)C WXVL_AK0128SB0091 [0,2,0,0,0,0|2,0,0]=4 845 B12R0.102 CCOCC(=O)NCCC(C)CO WXVL_AK4143SB0091 [0,2,0,0,0,0|2,0,0]=4 846 B12R0.102 CCOCC(=O)NCCC(C)CO WXVL_AK4143SB0091 [0,2,0,0,0,0|2,0,0]=4 847 B12R0.255 C=C(C)CNC(=O)CCCCCBr WXVL_AK0761SB2192 [0,2,0,0,0,0|2,0,0]=4 848 B12R0.255 C=C(C)CNC(=O)CCCCCBr WXVL_AK0761SB2192 [0,2,0,0,0,0|2,0,0]=4 849 B12R0.255 C=C(C)CNC(=O)CCCCCO WXVL_AK0761SB2973 [0,2,0,0,0,0|2,0,0]=4 850 B12R0.255 C=C(C)CNC(=O)CCCCCO WXVL_AK0761SB2973 [0,2,0,0,0,0|2,0,0]=4 851 B12R0.255 CC(C)CNC(=O)CCCCCBr WXVL_AK00544SB2192 [0,2,0,0,0,0|2,0,0]=4 852 B12R0.255 CC(C)CNC(=O)CCCCCBr WXVL_AK00544SB2192 [0,2,0,0,0,0|2,0,0]=4 853 B12R0.255 CC(C)CNC(=O)CCCCCO WXVL_AK00544SB2973 [0,2,0,0,0,0|2,0,0]=4 854 B12R0.255 CC(C)CNC(=O)CCCCCO WXVL_AK00544SB2973 [0,2,0,0,0,0|2,0,0]=4 855 B12R0.255 CC(C)OCC(=O)NCCCCO WXVL_AK0075SB0213 [0,2,0,0,0,0|2,0,0]=4 856 B12R0.255 CC(C)OCC(=O)NCCCCO WXVL_AK0075SB0213 [0,2,0,0,0,0|2,0,0]=4 857 B12R0.255 CC(O)CNC(=O)CCCCCBr WXVL_AK0052SB2192 [0,2,0,0,0,0|2,0,0]=4 858 B12R0.255 CC(O)CNC(=O)CCCCCBr WXVL_AK0052SB2192 [0,2,0,0,0,0|2,0,0]=4 859 B12R0.255 CC(O)CNC(=O)CCCCCO WXVL_AK0052SB2973 [0,2,0,0,0,0|2,0,0]=4 860 B12R0.255 CC(O)CNC(=O)CCCCCO WXVL_AK0052SB2973 [0,2,0,0,0,0|2,0,0]=4 861 B12R0.255 CCCCCNC(=O)/C=C/C(C)C WXVL_AK0076SB0036 [0,2,0,0,0,0|2,0,0]=4 862 B12R0.255 CCCCCNC(=O)/C=C/C(C)C WXVL_AK0076SB0036 [0,2,0,0,0,0|2,0,0]=4 863 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|2,0,0]=4 864 B12R0.255 CCCCCNC(=O)CCC(=O)C WXVL_AK0076SB0072 [0,2,0,0,0,0|2,0,0]=4 865 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [0,2,0,0,0,0|2,0,0]=4 866 B12R0.255 CCCCCNC(=O)CCC(C)C WXVL_AK0076SB0354 [0,2,0,0,0,0|2,0,0]=4 867 B12R0.255 CCCCCNC(=O)CCN(C)C WXVL_AK0076SB00052 [0,2,0,0,0,0|2,0,0]=4 868 B12R0.255 CCCCCNC(=O)CCN(C)C WXVL_AK0076SB00052 [0,2,0,0,0,0|2,0,0]=4 869 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|1,0,1]=4 870 B12R0.255 CCCCCNC(=O)COC(=O)C WXVL_AK0076SB2824 [0,2,0,0,0,0|1,0,1]=4 871 B12R0.255 CCCCCNC(=O)COC(C)C WXVL_AK0076SB0213 [0,2,0,0,0,0|1,0,0]=3 872 B12R0.255 CCCCCNC(=O)COC(C)C WXVL_AK0076SB0213 [0,2,0,0,0,0|1,0,0]=3 873 B12R0.255 CCSCCNC(=O)COC(C)C WXVL_AK00494SB0213 [0,2,0,0,0,0|2,0,0]=4 874 B12R0.255 CCSCCNC(=O)COC(C)C WXVL_AK00494SB0213 [0,2,0,0,0,0|2,0,0]=4 875 B12R0.255 COCCCNC(=O)COC(C)C WXVL_AK00637SB0213 [0,2,0,0,0,0|2,0,0]=4 876 B12R0.255 COCCCNC(=O)COC(C)C WXVL_AK00637SB0213 [0,2,0,0,0,0|2,0,0]=4 877 B12R0.255 CSCCCNC(=O)COC(C)C WXVL_AK0965SB0213 [0,2,0,0,0,0|2,0,0]=4 878 B12R0.255 CSCCCNC(=O)COC(C)C WXVL_AK0965SB0213 [0,2,0,0,0,0|2,0,0]=4 879 B12R0.255 C[C@H](O)CNC(=O)CCCCCBr WXVL_AK0113SB2192 [0,2,0,0,0,0|2,0,0]=4 880 B12R0.255 C[C@H](O)CNC(=O)CCCCCBr WXVL_AK0113SB2192 [0,2,0,0,0,0|2,0,0]=4 881 B12R0.255 C[C@H](O)CNC(=O)CCCCCO WXVL_AK0113SB2973 [0,2,0,0,0,0|2,0,0]=4 882 B12R0.255 C[C@H](O)CNC(=O)CCCCCO WXVL_AK0113SB2973 [0,2,0,0,0,0|2,0,0]=4 883 B12R0.255 O=C(CCCCCBr)NCC(F)F WXVL_AK0136SB2192 [0,2,0,0,0,0|2,0,0]=4 884 B12R0.255 O=C(CCCCCBr)NCC(F)F WXVL_AK0136SB2192 [0,2,0,0,0,0|2,0,0]=4 885 B12R0.255 O=C(CCCCCO)NCC(F)F WXVL_AK0136SB2973 [0,2,0,0,0,0|2,0,0]=4 886 B12R0.255 O=C(CCCCCO)NCC(F)F WXVL_AK0136SB2973 [0,2,0,0,0,0|2,0,0]=4 887 B12R0.648 C=CCNC(=O)C(C)CCCCC WXVL_AK00561SB0394 [0,2,0,0,0,0|1,0,1]=4 888 B12R0.648 C=CCNC(=O)C(C)CCCCC WXVL_AK00561SB0394 [0,2,0,0,0,0|1,0,1]=4 889 B12R0.648 CCCCCC(C)C(=O)NCC#N WXVL_AK0683SB0394 [0,2,0,0,0,0|1,0,1]=4 890 B12R0.648 CCCCCC(C)C(=O)NCC#N WXVL_AK0683SB0394 [0,2,0,0,0,0|1,0,1]=4 891 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,2,0,0,0,0|1,0,0]=3 892 B12R0.648 CCCCCC(C)C(=O)NCCC WXVL_AK00504SB0394 [0,2,0,0,0,0|1,0,0]=3 893 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,2,0,0,0,0|1,0,0]=3 894 B12R0.648 CCCCCC(C)C(=O)NCCF WXVL_AK00466SB0394 [0,2,0,0,0,0|1,0,0]=3 895 B12R0.116 CCCCCNC(=O)C(CC)CC WXVL_AK0076SB0055 [0,2,0,0,0,0|2,0,0]=4 896 B12R0.116 CCCCCNC(=O)C(CC)CC WXVL_AK0076SB0055 [0,2,0,0,0,0|2,0,0]=4 897 B12R0.116 CCN(CC)C(=O)CCCCCBr WXVL_AN0042SB2192 [0,2,0,0,0,0|2,0,0]=4 898 B12R0.116 CCN(CC)C(=O)CCCCCBr WXVL_AN0042SB2192 [0,2,0,0,0,0|2,0,0]=4 899 B12R0.116 CCN(CC)C(=O)CCCCCO WXVL_AN0042SB2973 [0,2,0,0,0,0|2,0,0]=4 900 B12R0.116 CCN(CC)C(=O)CCCCCO WXVL_AN0042SB2973 [0,2,0,0,0,0|2,0,0]=4 901 B12R0.324 CCCCCNC(=O)C(C)(C)CC WXVL_AK0076SB0355 [0,2,0,0,0,0|2,0,0]=4 902 B12R0.324 CCCCCNC(=O)C(C)(C)CC WXVL_AK0076SB0355 [0,2,0,0,0,0|2,0,0]=4 903 B12R0.324 CCCCCNC(=O)C(C)(O)CC WXVL_AK0076SB3009 [0,2,0,0,0,0|2,0,0]=4 904 B12R0.324 CCCCCNC(=O)C(C)(O)CC WXVL_AK0076SB3009 [0,2,0,0,0,0|2,0,0]=4 905 B12R0.54 CCOC(=O)C(=O)NCCC(C)C WXVL_AK0068SB4144 [0,2,0,0,0,0|1,0,1]=4 906 B12R0.54 CCOC(=O)C(=O)NCCC(C)C WXVL_AK0068SB4144 [0,2,0,0,0,0|1,0,1]=4 907 B12R0.279 CCOC(=O)CCNC(=O)C(C)C WXVL_AK0465SB0052 [0,2,0,0,0,0|1,0,1]=4 908 B12R0.279 CCOC(=O)CCNC(=O)C(C)C WXVL_AK0465SB0052 [0,2,0,0,0,0|1,0,1]=4 909 B12R0.279 CCOC(=O)CCNC(=O)C(C)S WXVL_AK0465SB2708 [0,2,0,0,0,0|1,0,1]=4 910 B12R0.279 CCOC(=O)CCNC(=O)C(C)S WXVL_AK0465SB2708 [0,2,0,0,0,0|1,0,1]=4 911 B12R0.279 CCOC(=O)CCNC(=O)[C@@H](C)O WXVL_AK0465SB1085 [0,2,0,0,0,0|1,0,1]=4 912 B12R0.279 CCOC(=O)CCNC(=O)[C@@H](C)O WXVL_AK0465SB1085 [0,2,0,0,0,0|1,0,1]=4 913 B12R0.573 CCOC(=O)CCNS(=O)(=O)CC WXVL_AK0465HU0028 [0,2,0,0,0,0|2,0,0]=4 914 B12R0.573 CCOC(=O)CCNS(=O)(=O)CC WXVL_AK0465HU0028 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|2,0,0]=4 916 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [1,0,0,1,0,0|2,0,0]=4 917 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 918 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [1,0,0,1,0,0|1,0,0]=3 919 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 920 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [1,0,0,1,0,0|2,0,0]=4 921 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 922 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [1,0,0,1,0,0|2,0,0]=4 923 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 924 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [1,0,0,1,0,0|2,0,0]=4 925 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 926 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [1,0,0,1,0,0|1,0,0]=3 927 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 928 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [1,0,0,1,0,0|1,0,0]=3 929 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|2,0,0]=4 930 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [1,0,0,1,0,0|2,0,0]=4 931 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 932 B10R1.15 CCC(=O)N1CCOCC1 WXVL_AN00478SB0064 [1,0,0,1,0,0|2,0,0]=4 933 B10R1.15 CCC(=O)N1CCSCC1 WXVL_AN0896SB0064 [1,0,0,1,0,0|2,0,0]=4 934 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,0]=3 935 B10R1.15 CNC(=O)C1CCCCC1 WXVL_AK00442SB0047 [1,0,0,1,0,0|1,0,0]=3 936 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [1,0,0,1,0,0|2,0,0]=4 937 B10R1.15 CNC(=O)C1CCCCO1 WXVL_AK00442SB0206 [1,0,0,1,0,0|2,0,0]=4 938 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [1,0,0,1,0,0|2,0,0]=4 939 B10R1.15 CNC(=O)C1CCOCC1 WXVL_AK00442SB0149 [1,0,0,1,0,0|2,0,0]=4 940 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [1,0,0,1,0,0|2,0,0]=4 941 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [1,0,0,1,0,0|2,0,0]=4 942 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [1,0,0,1,0,0|2,0,0]=4 943 B10R1.15 CNC(=O)[C@H]1CCCCO1 WXVL_AK00442SB00044 [1,0,0,1,0,0|2,0,0]=4 944 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,0]=3 945 B10R1.27 CNC(=O)CC1CCCC1 WXVL_AK00442SB0044 [1,0,0,1,0,0|1,0,0]=3 946 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [1,0,0,1,0,0|2,0,0]=4 947 B10R1.27 CNC(=O)CN1CCCC1 WXVL_AK00442SB0201 [1,0,0,1,0,0|2,0,0]=4 948 B10R1.149 CCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0064 [1,0,0,1,0,0|1,0,0]=3 949 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,0]=3 950 B10R1.149 CNC(=O)C1CCCC1C WXVL_AK00442SB0904 [1,0,0,1,0,0|1,0,0]=3 951 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [1,0,0,1,0,0|2,0,0]=4 952 B10R1.149 CNC(=O)[C@@H]1CCCN1C WXVL_AK00442SB1197 [1,0,0,1,0,0|2,0,0]=4 953 B10R1.149 C[C@@H]1CCCN1C(=O)CO WXVL_AN00593SB2706 [1,0,0,1,0,0|2,0,0]=4 954 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,0]=3 955 B10R1.151 CCC(=O)NCC1CCC1 WXVL_AK00492SB0064 [1,0,0,1,0,0|1,0,0]=3 956 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 957 B10R1.151 CCC(=O)NCC1CCO1 WXVL_AK1433SB0064 [1,0,0,1,0,0|2,0,0]=4 958 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,1,0,0|2,0,0]=4 959 B10R1.151 CCC(=O)NCC1COC1 WXVL_AK0186SB0064 [1,0,0,1,0,0|2,0,0]=4 960 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,0]=3 961 B10R1.151 CNC(=O)CCC1CCC1 WXVL_AK00442SB8784 [1,0,0,1,0,0|1,0,0]=3 962 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,1,0,0|2,0,0]=4 963 B10R1.151 O=C(CO)NCC1CCC1 WXVL_AK00492SB2706 [1,0,0,1,0,0|2,0,0]=4 964 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,0]=3 965 B10R1.153 CCC(=O)NCCC1CC1 WXVL_AK00594SB0064 [1,0,0,1,0,0|1,0,0]=3 966 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [1,0,0,1,0,0|2,0,0]=4 967 B10R1.153 O=C(CO)NCCC1CC1 WXVL_AK00594SB2706 [1,0,0,1,0,0|2,0,0]=4 968 B10R1.175 CCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0064 [1,0,0,1,0,0|2,0,0]=4 969 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [1,0,0,1,0,0|2,0,0]=4 970 B10R1.175 CCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0064 [1,0,0,1,0,0|2,0,0]=4 971 B12R1.107 CC(C)NC(=O)C1CCCCC1 WXVL_AK0030SB0047 [0,1,0,1,0,0|1,0,0]=3 972 B12R1.107 CC(C)NC(=O)C1CCCCC1 WXVL_AK0030SB0047 [0,1,0,1,0,0|1,0,0]=3 973 B12R1.107 CC(C)NC(=O)C1CCCCO1 WXVL_AK0030SB0206 [0,1,0,1,0,0|2,0,0]=4 974 B12R1.107 CC(C)NC(=O)C1CCCCO1 WXVL_AK0030SB0206 [0,1,0,1,0,0|2,0,0]=4 975 B12R1.107 CC(C)NC(=O)C1CCOCC1 WXVL_AK0030SB0149 [0,1,0,1,0,0|2,0,0]=4 976 B12R1.107 CC(C)NC(=O)C1CCOCC1 WXVL_AK0030SB0149 [0,1,0,1,0,0|2,0,0]=4 977 B12R1.107 CC(C)NC(=O)C1CCSCC1 WXVL_AK0030SB0752 [0,1,0,1,0,0|2,0,0]=4 978 B12R1.107 CC(C)NC(=O)C1CCSCC1 WXVL_AK0030SB0752 [0,1,0,1,0,0|2,0,0]=4 979 B12R1.107 CC(C)NC(=O)[C@H]1CCCCO1 WXVL_AK0030SB00044 [0,1,0,1,0,0|2,0,0]=4 980 B12R1.107 CC(C)NC(=O)[C@H]1CCCCO1 WXVL_AK0030SB00044 [0,1,0,1,0,0|2,0,0]=4 981 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB0063 [0,1,0,1,0,0|2,0,0]=4 982 B12R1.144 CC(C)NC(=O)C1CCCC1C WXVL_AK0030SB0904 [0,1,0,1,0,0|1,0,0]=3 983 B12R1.144 CC(C)NC(=O)C1CCCC1C WXVL_AK0030SB0904 [0,1,0,1,0,0|1,0,0]=3 984 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C WXVL_AK0030SB1197 [0,1,0,1,0,0|2,0,0]=4 985 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C WXVL_AK0030SB1197 [0,1,0,1,0,0|2,0,0]=4 986 B12R1.144 CC(O)CC(=O)N1CCC[C@H]1C WXVL_AN00593SB3643 [0,1,0,1,0,0|2,0,0]=4 987 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,1,0,0|1,0,0]=3 988 B12R1.260 CC(C)NC(=O)CC1CCCC1 WXVL_AK0030SB0044 [0,1,0,1,0,0|1,0,0]=3 989 B12R1.260 CC(C)NC(=O)CN1CCCC1 WXVL_AK0030SB0201 [0,1,0,1,0,0|2,0,0]=4 990 B12R1.260 CC(C)NC(=O)CN1CCCC1 WXVL_AK0030SB0201 [0,1,0,1,0,0|2,0,0]=4 991 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [0,1,0,1,0,0|2,0,0]=4 992 B12R1.563 CCCCCNC(=O)CC1CC1 WXVL_AK0076SB0155 [0,1,0,1,0,0|2,0,0]=4 993 B12R1.563 O=C(CCCCCBr)NC1CC1 WXVL_AK0001SB2192 [0,1,0,1,0,0|2,0,0]=4 994 B12R1.563 O=C(CCCCCBr)NC1CC1 WXVL_AK0001SB2192 [0,1,0,1,0,0|2,0,0]=4 995 B12R1.563 O=C(CCCCCO)NC1CC1 WXVL_AK0001SB2973 [0,1,0,1,0,0|2,0,0]=4 996 B12R1.563 O=C(CCCCCO)NC1CC1 WXVL_AK0001SB2973 [0,1,0,1,0,0|2,0,0]=4 997 B12R1.1376 CC(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0063 [0,1,0,1,0,0|2,0,0]=4 998 B12R1.1376 CC(C)CC(=O)NCC1CCC1 WXVL_AK00492SB0063 [0,1,0,1,0,0|2,0,0]=4 999 B12R1.1376 CC(C)NC(=O)CCC1CCC1 WXVL_AK0030SB8784 [0,1,0,1,0,0|1,0,0]=3 1000 B12R1.1376 CC(C)NC(=O)CCC1CCC1 WXVL_AK0030SB8784 [0,1,0,1,0,0|1,0,0]=3 1001 B12R1.1376 CC(O)CC(=O)NCC1CCC1 WXVL_AK00492SB3643 [0,1,0,1,0,0|2,0,0]=4 1002 B12R1.1376 CC(O)CC(=O)NCC1CCC1 WXVL_AK00492SB3643 [0,1,0,1,0,0|2,0,0]=4 1003 B12R1.1377 CC(C)CC(=O)NCCC1CC1 WXVL_AK00594SB0063 [0,1,0,1,0,0|2,0,0]=4 1004 B12R1.1377 CC(C)CC(=O)NCCC1CC1 WXVL_AK00594SB0063 [0,1,0,1,0,0|2,0,0]=4 1005 B12R1.1377 CC(O)CC(=O)NCCC1CC1 WXVL_AK00594SB3643 [0,1,0,1,0,0|2,0,0]=4 1006 B12R1.1377 CC(O)CC(=O)NCCC1CC1 WXVL_AK00594SB3643 [0,1,0,1,0,0|2,0,0]=4 1007 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [0,1,0,1,0,0|2,0,0]=4 1008 B12R1.2563 CCCCCNC(=O)C1CC1C WXVL_AK0076SB0041 [0,1,0,1,0,0|2,0,0]=4 1009 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0076SB1245 [0,1,0,1,0,0|2,0,0]=4 1010 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK0076SB1245 [0,1,0,1,0,0|2,0,0]=4 1011 B12R1.2563 CCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0076SB00019 [0,1,0,1,0,0|2,0,0]=4 1012 B12R1.2563 CCCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK0076SB00019 [0,1,0,1,0,0|2,0,0]=4 1013 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,1,0,1,0,0|1,0,1]=4 1014 B12R1.32 C/C=C/C(=O)NC1CCCCC1 WXVL_AK00480SB0340 [0,1,0,1,0,0|1,0,1]=4 1015 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,1,0,1,0,0|1,0,1]=4 1016 B12R1.32 CC#CC(=O)NC1CCCCC1 WXVL_AK00480SB1240 [0,1,0,1,0,0|1,0,1]=4 1017 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|1,0,0]=3 1018 B12R1.32 CCCC(=O)NC1CCCCC1 WXVL_AK00480SB0073 [0,1,0,1,0,0|1,0,0]=3 1019 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|2,0,0]=4 1020 B12R1.32 CCCC(=O)NC1CCCOC1 WXVL_AK1073SB0073 [0,1,0,1,0,0|2,0,0]=4 1021 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|1,0,0]=3 1022 B12R1.32 CCNC(=O)CC1CCCCO1 WXVL_AK00476SB1464 [0,1,0,1,0,0|1,0,0]=3 1023 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|1,0,0]=3 1024 B12R1.32 CCNC(=O)CC1CCOCC1 WXVL_AK00476SB0194 [0,1,0,1,0,0|1,0,0]=3 1025 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,1,0,1,0,0|2,0,0]=4 1026 B12R1.32 CCNC(=O)CC1COCCO1 WXVL_AK00476SB2988 [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|1,0,0]=3 1028 B12R1.32 CCNC(=O)CN1CCCCC1 WXVL_AK00476SB0186 [0,1,0,1,0,0|1,0,0]=3 1029 B12R1.32 CCNC(=O)CN1CCOCC1 WXVL_AK00476SB0188 [0,1,0,1,0,0|2,0,0]=4 1030 B12R1.32 CCNC(=O)CN1CCOCC1 WXVL_AK00476SB0188 [0,1,0,1,0,0|2,0,0]=4 1031 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|2,0,0]=4 1032 B12R1.32 COCC(=O)NC1CCCCC1 WXVL_AK00480SB0090 [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|2,0,0]=4 1034 B12R1.32 CSCC(=O)NC1CCCCC1 WXVL_AK00480SB1267 [0,1,0,1,0,0|2,0,0]=4 1035 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,1,0,1,0,0|1,0,1]=4 1036 B12R1.51 C/C=C/C(=O)NCC1CCCC1 WXVL_AK0303SB0340 [0,1,0,1,0,0|1,0,1]=4 1037 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,1,0,1,0,0|1,0,1]=4 1038 B12R1.51 CC#CC(=O)NCC1CCCC1 WXVL_AK0303SB1240 [0,1,0,1,0,0|1,0,1]=4 1039 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|1,0,0]=3 1040 B12R1.51 CCCC(=O)NCC1CCCC1 WXVL_AK0303SB0073 [0,1,0,1,0,0|1,0,0]=3 1041 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,1,0,1,0,0|2,0,0]=4 1042 B12R1.51 CCCC(=O)NCC1CCOC1 WXVL_AK00634SB0073 [0,1,0,1,0,0|2,0,0]=4 1043 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,1,0,1,0,0|2,0,0]=4 1044 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 WXVL_AK00754SB0073 [0,1,0,1,0,0|2,0,0]=4 1045 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,1,0,1,0,0|2,0,0]=4 1046 B12R1.51 CCCC(=O)NC[C@H]1CCOC1 WXVL_AK2110SB0073 [0,1,0,1,0,0|2,0,0]=4 1047 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|1,0,1]=4 1048 B12R1.51 CCNC(=O)/C=C/C1CCCC1 WXVL_AK00476SB5314 [0,1,0,1,0,0|1,0,1]=4 1049 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|1,0,0]=3 1050 B12R1.51 CCNC(=O)CCC1CCCC1 WXVL_AK00476SB0045 [0,1,0,1,0,0|1,0,0]=3 1051 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|1,0,0]=3 1052 B12R1.51 CCNC(=O)CCN1CCCC1 WXVL_AK00476SB0766 [0,1,0,1,0,0|1,0,0]=3 1053 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|1,0,0]=3 1054 B12R1.51 CCNC(=O)COC1CCCC1 WXVL_AK00476SB0754 [0,1,0,1,0,0|1,0,0]=3 1055 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|2,0,0]=4 1056 B12R1.51 COCC(=O)NCC1CCCC1 WXVL_AK0303SB0090 [0,1,0,1,0,0|2,0,0]=4 1057 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|2,0,0]=4 1058 B12R1.51 CSCC(=O)NCC1CCCC1 WXVL_AK0303SB1267 [0,1,0,1,0,0|2,0,0]=4 1059 B12R1.308 C/C=C/C(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0340 [0,1,0,1,0,0|1,0,1]=4 1060 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1240 [0,1,0,1,0,0|1,0,1]=4 1061 B12R1.308 CCCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0073 [0,1,0,1,0,0|1,0,0]=3 1062 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,1,0,1,0,0|2,0,0]=4 1063 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C WXVL_AN00472SB0073 [0,1,0,1,0,0|2,0,0]=4 1064 B12R1.308 CCCC(=O)N1CCOC[C@H]1C WXVL_AN00562SB0073 [0,1,0,1,0,0|2,0,0]=4 1065 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|1,0,0]=3 1066 B12R1.308 CCNC(=O)[C@H]1CCCCN1C WXVL_AK00476SB4055 [0,1,0,1,0,0|1,0,0]=3 1067 B12R1.308 COCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB0090 [0,1,0,1,0,0|2,0,0]=4 1068 B12R1.308 CSCC(=O)N1CCCC[C@@H]1C WXVL_AN00851SB1267 [0,1,0,1,0,0|2,0,0]=4 1069 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,1,0,1,0,0|1,0,1]=4 1070 B12R1.315 C/C=C/C(=O)NCCC1CCC1 WXVL_AK2418SB0340 [0,1,0,1,0,0|1,0,1]=4 1071 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,1,0,1,0,0|1,0,1]=4 1072 B12R1.315 CC#CC(=O)NCCC1CCC1 WXVL_AK2418SB1240 [0,1,0,1,0,0|1,0,1]=4 1073 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|1,0,0]=3 1074 B12R1.315 CCCC(=O)NCCC1CCC1 WXVL_AK2418SB0073 [0,1,0,1,0,0|1,0,0]=3 1075 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|2,0,0]=4 1076 B12R1.315 COCC(=O)NCCC1CCC1 WXVL_AK2418SB0090 [0,1,0,1,0,0|2,0,0]=4 1077 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|2,0,0]=4 1078 B12R1.315 CSCC(=O)NCCC1CCC1 WXVL_AK2418SB1267 [0,1,0,1,0,0|2,0,0]=4 1079 B12R1.316 CCCC(=O)N1CCC[C@H]1CO WXVL_AN0917SB0073 [0,1,0,1,0,0|2,0,0]=4 1080 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|1,0,0]=3 1081 B12R1.923 CCCCCCNC(=O)C1CC1 WXVL_AK0286SB0038 [0,1,0,1,0,0|1,0,0]=3 1082 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,1,0,1,0,0|2,0,0]=4 1083 B12R1.923 CCOCCCNC(=O)C1CC1 WXVL_AK0072SB0038 [0,1,0,1,0,0|2,0,0]=4 1084 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,1,0,1,0,0|2,0,0]=4 1085 B12R1.923 O=C(NCCCCCO)C1CC1 WXVL_AK0077SB0038 [0,1,0,1,0,0|2,0,0]=4 1086 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,1,0,1,0,0|2,0,0]=4 1087 B12R1.1564 CCCC(=O)N1CCCOCC1 WXVL_AN00350SB0073 [0,1,0,1,0,0|2,0,0]=4 1088 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|1,0,0]=3 1089 B12R1.1564 CCNC(=O)C1CCCCCC1 WXVL_AK00476SB0385 [0,1,0,1,0,0|1,0,0]=3 1090 B12R1.53 C=CCNC(=O)CC1CCCC1 WXVL_AK00561SB0044 [0,1,0,1,0,0|1,0,1]=4 1091 B12R1.53 C=CCNC(=O)CC1CCCC1 WXVL_AK00561SB0044 [0,1,0,1,0,0|1,0,1]=4 1092 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|1,0,0]=3 1093 B12R1.53 CCCNC(=O)CC1CCCC1 WXVL_AK00504SB0044 [0,1,0,1,0,0|1,0,0]=3 1094 B12R1.53 CCCNC(=O)CN1CCCC1 WXVL_AK00504SB0201 [0,1,0,1,0,0|2,0,0]=4 1095 B12R1.53 CCCNC(=O)CN1CCCC1 WXVL_AK00504SB0201 [0,1,0,1,0,0|2,0,0]=4 1096 B12R1.53 N#CCNC(=O)CC1CCCC1 WXVL_AK0683SB0044 [0,1,0,1,0,0|1,0,1]=4 1097 B12R1.53 N#CCNC(=O)CC1CCCC1 WXVL_AK0683SB0044 [0,1,0,1,0,0|1,0,1]=4 1098 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|1,0,0]=3 1099 B12R1.53 O=C(CC1CCCC1)NCCF WXVL_AK00466SB0044 [0,1,0,1,0,0|1,0,0]=3 1100 B12R1.53 O=C(CN1CCCC1)NCCF WXVL_AK00466SB0201 [0,1,0,1,0,0|2,0,0]=4 1101 B12R1.53 O=C(CN1CCCC1)NCCF WXVL_AK00466SB0201 [0,1,0,1,0,0|2,0,0]=4 1102 B12R1.460 C=CCNC(=O)C1CCCC1C WXVL_AK00561SB0904 [0,1,0,1,0,0|1,0,1]=4 1103 B12R1.460 C=CCNC(=O)C1CCCC1C WXVL_AK00561SB0904 [0,1,0,1,0,0|1,0,1]=4 1104 B12R1.460 CC1CCCC1C(=O)NCC#N WXVL_AK0683SB0904 [0,1,0,1,0,0|1,0,1]=4 1105 B12R1.460 CC1CCCC1C(=O)NCC#N WXVL_AK0683SB0904 [0,1,0,1,0,0|1,0,1]=4 1106 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|1,0,0]=3 1107 B12R1.460 CC1CCCC1C(=O)NCCF WXVL_AK00466SB0904 [0,1,0,1,0,0|1,0,0]=3 1108 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|1,0,0]=3 1109 B12R1.460 CCCNC(=O)C1CCCC1C WXVL_AK00504SB0904 [0,1,0,1,0,0|1,0,0]=3 1110 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00504SB1197 [0,1,0,1,0,0|2,0,0]=4 1111 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C WXVL_AK00504SB1197 [0,1,0,1,0,0|2,0,0]=4 1112 B12R1.460 CCOCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0091 [0,1,0,1,0,0|1,0,0]=3 1113 B12R1.460 CCSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0002 [0,1,0,1,0,0|1,1,0]=4 1114 B12R1.460 CN1CCC[C@H]1C(=O)NCCF WXVL_AK00466SB1197 [0,1,0,1,0,0|2,0,0]=4 1115 B12R1.460 CN1CCC[C@H]1C(=O)NCCF WXVL_AK00466SB1197 [0,1,0,1,0,0|2,0,0]=4 1116 B12R1.460 COCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0156 [0,1,0,1,0,0|2,0,0]=4 1117 B12R1.460 CSCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0361 [0,1,0,1,0,0|2,0,0]=4 1118 B12R1.460 C[C@@H]1CCCN1C(=O)NCCCl WXVL_AN00593YV0092 [0,1,0,1,0,0|2,0,0]=4 1119 B12R1.519 CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0073 [0,1,0,1,0,0|2,0,0]=4 1120 B12R1.519 CCCC(=O)NC(C)C1CCC1 WXVL_AK00681SB0073 [0,1,0,1,0,0|2,0,0]=4 1121 B12R1.521 CCOC(=O)CC(=O)NC1CC1 WXVL_AK0001SB3094 [0,1,0,1,0,0|1,0,1]=4 1122 B12R1.521 CCOC(=O)CC(=O)NC1CC1 WXVL_AK0001SB3094 [0,1,0,1,0,0|1,0,1]=4 1123 B12R1.1589 CCCC(=O)N1[C@@H](CC[C@H]1C)C WXVL_AN00607SB0073 [0,1,0,1,0,0|2,0,0]=4 1124 B12R1.17 CCCC(=O)N1CCCC(C1)Br WXVL_AN00704SB0073 [0,1,0,1,0,0|2,0,0]=4 1125 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,1,0,1,0,0|2,0,0]=4 1126 B12R1.17 CCCC(=O)N1CCCC(C1)F WXVL_AN2271SB0073 [0,1,0,1,0,0|2,0,0]=4 1127 B12R1.17 CCCC(=O)N1CCCC(C1)O WXVL_AN0622SB0073 [0,1,0,1,0,0|2,0,0]=4 1128 B12R1.17 CCCC(=O)N1CCC[C@H](C1)C WXVL_AN00782SB0073 [0,1,0,1,0,0|2,0,0]=4 1129 B12R1.17 CCCC(=O)N1CCC[C@H](C1)O WXVL_AN00535SB0073 [0,1,0,1,0,0|2,0,0]=4 1130 B12R1.17 CCCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0073 [0,1,0,1,0,0|1,0,1]=4 1131 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,1,0,1,0,0|1,0,0]=3 1132 B12R1.17 CCNC(=O)C1CCCC(C1)C WXVL_AK00476SB5392 [0,1,0,1,0,0|1,0,0]=3 1133 B12R1.17 CCNC(=O)C1CCCN(C1)C WXVL_AK00476SA00108 [0,1,0,1,0,0|2,0,0]=4 1134 B12R1.17 CCNC(=O)C1CCCN(C1)C WXVL_AK00476SA00108 [0,1,0,1,0,0|2,0,0]=4 1135 B12R1.17 CCNC(=O)C1CCCN(C1)C WXVL_AK00476SB1435 [0,1,0,1,0,0|2,0,0]=4 1136 B12R1.17 CCNC(=O)C1CCCN(C1)C WXVL_AK00476SB1435 [0,1,0,1,0,0|2,0,0]=4 1137 B12R1.313 CCCC(=O)N1C[C@@H](C[C@@H]1C)O WXVL_AN00544SB0073 [0,1,0,1,0,0|2,0,0]=4 1138 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,1,0,1,0,0|2,0,0]=4 1139 B12R1.1573 CCCC(=O)NCC1(CCC1)C WXVL_AK00671SB0073 [0,1,0,1,0,0|2,0,0]=4 1140 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,1,0,1,0,0|2,0,0]=4 1141 B12R1.1573 CCCC(=O)NCC1(CCC1)F WXVL_AK4924SB0073 [0,1,0,1,0,0|2,0,0]=4 1142 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,1,0,1,0,0|2,0,0]=4 1143 B12R1.1573 CCCC(=O)NCC1(CCC1)O WXVL_AK2855SB0073 [0,1,0,1,0,0|2,0,0]=4 1144 B12R1.30 C=CCNC(=O)C1CCCCC1 WXVL_AK00561SB0047 [0,1,0,1,0,0|1,0,1]=4 1145 B12R1.30 C=CCNC(=O)C1CCCCC1 WXVL_AK00561SB0047 [0,1,0,1,0,0|1,0,1]=4 1146 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,1,0,1,0,0|1,0,0]=3 1147 B12R1.30 CCCNC(=O)C1CCCCC1 WXVL_AK00504SB0047 [0,1,0,1,0,0|1,0,0]=3 1148 B12R1.30 CCCNC(=O)C1CCCCO1 WXVL_AK00504SB0206 [0,1,0,1,0,0|2,0,0]=4 1149 B12R1.30 CCCNC(=O)C1CCCCO1 WXVL_AK00504SB0206 [0,1,0,1,0,0|2,0,0]=4 1150 B12R1.30 CCCNC(=O)C1CCOCC1 WXVL_AK00504SB0149 [0,1,0,1,0,0|2,0,0]=4 1151 B12R1.30 CCCNC(=O)C1CCOCC1 WXVL_AK00504SB0149 [0,1,0,1,0,0|2,0,0]=4 1152 B12R1.30 CCCNC(=O)C1CCSCC1 WXVL_AK00504SB0752 [0,1,0,1,0,0|2,0,0]=4 1153 B12R1.30 CCCNC(=O)C1CCSCC1 WXVL_AK00504SB0752 [0,1,0,1,0,0|2,0,0]=4 1154 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00504SB00044 [0,1,0,1,0,0|2,0,0]=4 1155 B12R1.30 CCCNC(=O)[C@H]1CCCCO1 WXVL_AK00504SB00044 [0,1,0,1,0,0|2,0,0]=4 1156 B12R1.30 CCOCC(=O)N1CCOCC1 WXVL_AN00478SB0091 [0,1,0,1,0,0|2,0,0]=4 1157 B12R1.30 CCOCC(=O)N1CCOCC1 WXVL_AN00478SB0091 [0,1,0,1,0,0|2,0,0]=4 1158 B12R1.30 CCOCC(=O)N1CCSCC1 WXVL_AN0896SB0091 [0,1,0,1,0,0|2,0,0]=4 1159 B12R1.30 N#CCNC(=O)C1CCCCC1 WXVL_AK0683SB0047 [0,1,0,1,0,0|1,0,1]=4 1160 B12R1.30 N#CCNC(=O)C1CCCCC1 WXVL_AK0683SB0047 [0,1,0,1,0,0|1,0,1]=4 1161 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,1,0,1,0,0|1,0,0]=3 1162 B12R1.30 O=C(NCCF)C1CCCCC1 WXVL_AK00466SB0047 [0,1,0,1,0,0|1,0,0]=3 1163 B12R1.30 O=C(NCCF)C1CCCCO1 WXVL_AK00466SB0206 [0,1,0,1,0,0|2,0,0]=4 1164 B12R1.30 O=C(NCCF)C1CCCCO1 WXVL_AK00466SB0206 [0,1,0,1,0,0|2,0,0]=4 1165 B12R1.30 O=C(NCCF)C1CCOCC1 WXVL_AK00466SB0149 [0,1,0,1,0,0|2,0,0]=4 1166 B12R1.30 O=C(NCCF)C1CCOCC1 WXVL_AK00466SB0149 [0,1,0,1,0,0|2,0,0]=4 1167 B12R1.30 O=C(NCCF)C1CCSCC1 WXVL_AK00466SB0752 [0,1,0,1,0,0|2,0,0]=4 1168 B12R1.30 O=C(NCCF)C1CCSCC1 WXVL_AK00466SB0752 [0,1,0,1,0,0|2,0,0]=4 1169 B12R1.30 O=C(NCCF)[C@H]1CCCCO1 WXVL_AK00466SB00044 [0,1,0,1,0,0|2,0,0]=4 1170 B12R1.30 O=C(NCCF)[C@H]1CCCCO1 WXVL_AK00466SB00044 [0,1,0,1,0,0|2,0,0]=4 1171 B12R1.461 CCOCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0091 [0,1,0,1,0,0|2,0,0]=4 1172 B12R1.461 CCOCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0091 [0,1,0,1,0,0|2,0,0]=4 1173 B12R1.461 CCOCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0091 [0,1,0,1,0,0|2,0,0]=4 1174 B12R1.463 C=CCNC(=O)CCC1CCC1 WXVL_AK00561SB8784 [0,1,0,1,0,0|1,0,1]=4 1175 B12R1.463 C=CCNC(=O)CCC1CCC1 WXVL_AK00561SB8784 [0,1,0,1,0,0|1,0,1]=4 1176 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,1,0,0|1,0,0]=3 1177 B12R1.463 CCCNC(=O)CCC1CCC1 WXVL_AK00504SB8784 [0,1,0,1,0,0|1,0,0]=3 1178 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,1,0,0|1,0,0]=3 1179 B12R1.463 CCOCC(=O)NCC1CCC1 WXVL_AK00492SB0091 [0,1,0,1,0,0|1,0,0]=3 1180 B12R1.463 CCOCC(=O)NCC1CCO1 WXVL_AK1433SB0091 [0,1,0,1,0,0|2,0,0]=4 1181 B12R1.463 CCOCC(=O)NCC1CCO1 WXVL_AK1433SB0091 [0,1,0,1,0,0|2,0,0]=4 1182 B12R1.463 CCOCC(=O)NCC1COC1 WXVL_AK0186SB0091 [0,1,0,1,0,0|2,0,0]=4 1183 B12R1.463 CCOCC(=O)NCC1COC1 WXVL_AK0186SB0091 [0,1,0,1,0,0|2,0,0]=4 1184 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,1,0,0|1,1,0]=4 1185 B12R1.463 CCSCC(=O)NCC1CCC1 WXVL_AK00492SB0002 [0,1,0,1,0,0|1,1,0]=4 1186 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,1,0,0|2,0,0]=4 1187 B12R1.463 COCCC(=O)NCC1CCC1 WXVL_AK00492SB0156 [0,1,0,1,0,0|2,0,0]=4 1188 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,1,0,0|2,0,0]=4 1189 B12R1.463 CSCCC(=O)NCC1CCC1 WXVL_AK00492SB0361 [0,1,0,1,0,0|2,0,0]=4 1190 B12R1.463 N#CCNC(=O)CCC1CCC1 WXVL_AK0683SB8784 [0,1,0,1,0,0|1,0,1]=4 1191 B12R1.463 N#CCNC(=O)CCC1CCC1 WXVL_AK0683SB8784 [0,1,0,1,0,0|1,0,1]=4 1192 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,1,0,0|1,0,0]=3 1193 B12R1.463 O=C(CCC1CCC1)NCCF WXVL_AK00466SB8784 [0,1,0,1,0,0|1,0,0]=3 1194 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,1,0,0|2,0,0]=4 1195 B12R1.463 O=C(NCCCl)NCC1CCC1 WXVL_AK00492YV0092 [0,1,0,1,0,0|2,0,0]=4 1196 B12R1.464 CCOCC(=O)NCCC1CC1 WXVL_AK00594SB0091 [0,1,0,1,0,0|1,0,0]=3 1197 B12R1.464 CCOCC(=O)NCCC1CC1 WXVL_AK00594SB0091 [0,1,0,1,0,0|1,0,0]=3 1198 B12R1.464 CCSCC(=O)NCCC1CC1 WXVL_AK00594SB0002 [0,1,0,1,0,0|1,1,0]=4 1199 B12R1.464 CCSCC(=O)NCCC1CC1 WXVL_AK00594SB0002 [0,1,0,1,0,0|1,1,0]=4 1200 B12R1.464 COCCC(=O)NCCC1CC1 WXVL_AK00594SB0156 [0,1,0,1,0,0|2,0,0]=4 1201 B12R1.464 COCCC(=O)NCCC1CC1 WXVL_AK00594SB0156 [0,1,0,1,0,0|2,0,0]=4 1202 B12R1.464 CSCCC(=O)NCCC1CC1 WXVL_AK00594SB0361 [0,1,0,1,0,0|2,0,0]=4 1203 B12R1.464 CSCCC(=O)NCCC1CC1 WXVL_AK00594SB0361 [0,1,0,1,0,0|2,0,0]=4 1204 B12R1.464 O=C(NCCCl)NCCC1CC1 WXVL_AK00594YV0092 [0,1,0,1,0,0|2,0,0]=4 1205 B12R1.464 O=C(NCCCl)NCCC1CC1 WXVL_AK00594YV0092 [0,1,0,1,0,0|2,0,0]=4 1206 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [0,1,0,1,0,0|2,0,0]=4 1207 B12R1.561 CCCCCNC(=O)C1CCC1 WXVL_AK0076SB0042 [0,1,0,1,0,0|2,0,0]=4 1208 B12R1.468 CCC(=O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB0344 [0,1,0,1,0,0|2,0,0]=4 1209 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C WXVL_AN00593SB0054 [0,1,0,1,0,0|2,0,0]=4 1210 B12R1.468 CC[C@@H](C)C(=O)N1CCC[C@H]1C WXVL_AN00593SB00054 [0,1,0,1,0,0|2,0,0]=4 1211 B12R1.468 CC[C@H](O)C(=O)N1CCC[C@H]1C WXVL_AN00593SB3573 [0,1,0,1,0,0|2,0,0]=4 1212 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|2,0,0]=4 1213 B12R1.470 CCC(=O)C(=O)NCC1CCC1 WXVL_AK00492SB0344 [0,1,0,1,0,0|2,0,0]=4 1214 B12R1.470 CCC(C)C(=O)NCC1CCC1 WXVL_AK00492SB0054 [0,1,0,1,0,0|2,0,0]=4 1215 B12R1.470 CCC(C)C(=O)NCC1CCC1 WXVL_AK00492SB0054 [0,1,0,1,0,0|2,0,0]=4 1216 B12R1.470 CC[C@@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB00054 [0,1,0,1,0,0|2,0,0]=4 1217 B12R1.470 CC[C@@H](C)C(=O)NCC1CCC1 WXVL_AK00492SB00054 [0,1,0,1,0,0|2,0,0]=4 1218 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 WXVL_AK00492SB3573 [0,1,0,1,0,0|2,0,0]=4 1219 B12R1.470 CC[C@H](O)C(=O)NCC1CCC1 WXVL_AK00492SB3573 [0,1,0,1,0,0|2,0,0]=4 1220 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|2,0,0]=4 1221 B12R1.471 CCC(=O)C(=O)NCCC1CC1 WXVL_AK00594SB0344 [0,1,0,1,0,0|2,0,0]=4 1222 B12R1.471 CCC(C)C(=O)NCCC1CC1 WXVL_AK00594SB0054 [0,1,0,1,0,0|2,0,0]=4 1223 B12R1.471 CCC(C)C(=O)NCCC1CC1 WXVL_AK00594SB0054 [0,1,0,1,0,0|2,0,0]=4 1224 B12R1.471 CC[C@@H](C)C(=O)NCCC1CC1 WXVL_AK00594SB00054 [0,1,0,1,0,0|2,0,0]=4 1225 B12R1.471 CC[C@@H](C)C(=O)NCCC1CC1 WXVL_AK00594SB00054 [0,1,0,1,0,0|2,0,0]=4 1226 B12R1.471 CC[C@H](O)C(=O)NCCC1CC1 WXVL_AK00594SB3573 [0,1,0,1,0,0|2,0,0]=4 1227 B12R1.471 CC[C@H](O)C(=O)NCCC1CC1 WXVL_AK00594SB3573 [0,1,0,1,0,0|2,0,0]=4 1228 B12R1.562 CCCCCNC(=O)C1(CC1)Br WXVL_AK0076SB5517 [0,1,0,1,0,0|2,0,0]=4 1229 B12R1.562 CCCCCNC(=O)C1(CC1)Br WXVL_AK0076SB5517 [0,1,0,1,0,0|2,0,0]=4 1230 B12R1.562 CCCCCNC(=O)C1(CC1)C WXVL_AK0076SB0040 [0,1,0,1,0,0|2,0,0]=4 1231 B12R1.562 CCCCCNC(=O)C1(CC1)C WXVL_AK0076SB0040 [0,1,0,1,0,0|2,0,0]=4 1232 B12R1.562 CCCCCNC(=O)C1(CC1)F WXVL_AK0076SB0218 [0,1,0,1,0,0|2,0,0]=4 1233 B12R1.562 CCCCCNC(=O)C1(CC1)F WXVL_AK0076SB0218 [0,1,0,1,0,0|2,0,0]=4 1234 B12R1.562 CCCCCNC(=O)C1(CC1)O WXVL_AK0076SB2965 [0,1,0,1,0,0|2,0,0]=4 1235 B12R1.562 CCCCCNC(=O)C1(CC1)O WXVL_AK0076SB2965 [0,1,0,1,0,0|2,0,0]=4 1236 B12R1.55 CCOC(=O)C(=O)N1CCCC1 WXVL_AN0008SB4144 [0,1,0,1,0,0|1,0,1]=4 1237 B12R1.55 CCOC(=O)C(=O)N1CCCC1 WXVL_AN0008SB4144 [0,1,0,1,0,0|1,0,1]=4 1238 B12R1.1595 CCNC(=O)C1(CCCCC1)C WXVL_AK00476SB2476 [0,1,0,1,0,0|1,0,0]=3 1239 B12R1.1595 CCNC(=O)C1(CCCCC1)C WXVL_AK00476SB2476 [0,1,0,1,0,0|1,0,0]=3 1240 B12R1.1595 CCNC(=O)C1(CCOCC1)C WXVL_AK00476SB2291 [0,1,0,1,0,0|2,0,0]=4 1241 B12R1.1595 CCNC(=O)C1(CCOCC1)C WXVL_AK00476SB2291 [0,1,0,1,0,0|2,0,0]=4 1242 B12R1.1595 CCNC(=O)C1(CCOCC1)F WXVL_AK00476SB0023 [0,1,0,1,0,0|2,0,0]=4 1243 B12R1.1595 CCNC(=O)C1(CCOCC1)F WXVL_AK00476SB0023 [0,1,0,1,0,0|2,0,0]=4 1244 B12R1.1595 CCNC(=O)C1(CCOCC1)O WXVL_AK00476SBE859 [0,1,0,1,0,0|2,0,0]=4 1245 B12R1.1595 CCNC(=O)C1(CCOCC1)O WXVL_AK00476SBE859 [0,1,0,1,0,0|2,0,0]=4 1246 B12R1.16 C=C1CCC(CC1)C(=O)NCC WXVL_AK00476SB2180 [0,1,0,1,0,0|1,0,1]=4 1247 B12R1.16 C=C1CCC(CC1)C(=O)NCC WXVL_AK00476SB2180 [0,1,0,1,0,0|1,0,1]=4 1248 B12R1.16 CCCC(=O)N1CCC(CC1)Br WXVL_AN00579SB0073 [0,1,0,1,0,0|2,0,0]=4 1249 B12R1.16 CCCC(=O)N1CCC(CC1)C WXVL_AN0025SB0073 [0,1,0,1,0,0|2,0,0]=4 1250 B12R1.16 CCCC(=O)N1CCC(CC1)C WXVL_AN0025SB0073 [0,1,0,1,0,0|2,0,0]=4 1251 B12R1.16 CCCC(=O)N1CCC(CC1)F WXVL_AN0279SB0073 [0,1,0,1,0,0|2,0,0]=4 1252 B12R1.16 CCCC(=O)N1CCC(CC1)O WXVL_AN0023SB0073 [0,1,0,1,0,0|2,0,0]=4 1253 B12R1.16 CCCC(=O)N1CCC(CC1)O WXVL_AN0023SB0073 [0,1,0,1,0,0|2,0,0]=4 1254 B12R1.16 CCNC(=O)C1CCC(CC1)O WXVL_AK00476SB3089 [0,1,0,1,0,0|1,0,0]=3 1255 B12R1.16 CCNC(=O)C1CCC(CC1)O WXVL_AK00476SB3089 [0,1,0,1,0,0|1,0,0]=3 1256 B12R1.16 CCNC(=O)C1CCN(CC1)C WXVL_AK00476SB00008 [0,1,0,1,0,0|2,0,0]=4 1257 B12R1.16 CCNC(=O)C1CCN(CC1)C WXVL_AK00476SB00008 [0,1,0,1,0,0|2,0,0]=4 1258 B12R1.317 CCCC(=O)N1CCCC1(C)C WXVL_AN0313SB0073 [0,1,0,1,0,0|2,0,0]=4 1259 B12R1.317 CCCC(=O)N1CCCC1(C)C WXVL_AN0313SB0073 [0,1,0,1,0,0|2,0,0]=4 1260 B12R1.39 CCNS(=O)(=O)C1CCCCC1 WXVL_AK00476HU0143 [0,1,0,1,0,0|2,0,0]=4 1261 B12R1.39 CCNS(=O)(=O)C1CCCCC1 WXVL_AK00476HU0143 [0,1,0,1,0,0|2,0,0]=4 1262 B12R2.1479 CCNC(=O)C1C2C1COC2 WXVL_AK00476SB0030 [0,0,0,2,0,0|2,0,0]=4 1263 B12R2.1479 CCNC(=O)C1C2C1COC2 WXVL_AK00476SB0030 [0,0,0,2,0,0|2,0,0]=4 1264 B12R2.1488 CCCC(=O)N1CC2CC2C1 WXVL_AN00158SB0073 [0,0,0,2,0,0|2,0,0]=4 1265 B12R2.1488 CCCC(=O)N1CC2CC2C1 WXVL_AN00158SB0073 [0,0,0,2,0,0|2,0,0]=4 1266 B12R2.3412 CCNC(=O)C1CC1C2CC2 WXVL_AK00476SB3548 [0,0,0,2,0,0|1,0,0]=3 1267 B12R2.3412 CCNC(=O)C1CC1C2CC2 WXVL_AK00476SB3548 [0,0,0,2,0,0|1,0,0]=3 1268 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 WXVL_AN00593SB0038 [0,0,0,2,0,0|2,0,0]=4 1269 B12R2.4795 O=C(NCC1CCC1)C2CC2 WXVL_AK00492SB0038 [0,0,0,2,0,0|2,0,0]=4 1270 B12R2.4795 O=C(NCC1CCC1)C2CC2 WXVL_AK00492SB0038 [0,0,0,2,0,0|2,0,0]=4 1271 B12R2.4794 O=C(NCCC1CC1)C2CC2 WXVL_AK00594SB0038 [0,0,0,2,0,0|2,0,0]=4 1272 B12R2.4794 O=C(NCCC1CC1)C2CC2 WXVL_AK00594SB0038 [0,0,0,2,0,0|2,0,0]=4