0 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.140 C#CCCCC(=O)NCCCO WXVL_AK0073SB2709 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.140 C#CCCCC(=O)NCCCO WXVL_AK0073SB2709 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.140 C#CCCCC(=O)NCCSC WXVL_AK00440SB2709 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.140 C#CCCCC(=O)NCCSC WXVL_AK00440SB2709 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.140 C#CCCNC(=O)CCCCBr WXVL_AK3109SB3153 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.140 C#CCCNC(=O)CCCCBr WXVL_AK3109SB3153 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.140 C#CCCNC(=O)CCCCCl WXVL_AK3109SB0379 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.140 C#CCCNC(=O)CCCCCl WXVL_AK3109SB0379 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.140 C=CCCCC(=O)NCCCO WXVL_AK0073SB2920 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.140 C=CCCCC(=O)NCCCO WXVL_AK0073SB2920 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.140 CC/C=C/CC(=O)NCCCO WXVL_AK0073SB0349 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.140 CC/C=C/CC(=O)NCCCO WXVL_AK0073SB0349 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.140 CC/C=C/CC(=O)NCCSC WXVL_AK00440SB0349 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.140 CC/C=C/CC(=O)NCCSC WXVL_AK00440SB0349 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [0,0,0,0,0,0|2,0,0]=2 29 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [0,0,0,0,0,0|2,0,0]=2 30 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [0,0,0,0,0,0|2,0,0]=2 31 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [0,0,0,0,0,0|2,0,0]=2 32 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [0,0,0,0,0,0|3,0,0]=3 33 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [0,0,0,0,0,0|3,0,0]=3 34 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [0,0,0,0,0,0|3,0,0]=3 38 B11R0.140 CSCCNC(=O)NCCCCl WXVL_AK00440YV0130 [0,0,0,0,0,0|4,0,0]=4 39 B11R0.140 CSCCNC(=O)NCCCCl WXVL_AK00440YV0130 [0,0,0,0,0,0|4,0,0]=4 40 B11R0.140 N#CCCNC(=O)CCCCBr WXVL_AK0087SB3153 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.140 N#CCCNC(=O)CCCCBr WXVL_AK0087SB3153 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.140 N#CCCNC(=O)CCCCCl WXVL_AK0087SB0379 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.140 N#CCCNC(=O)CCCCCl WXVL_AK0087SB0379 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [0,0,0,0,0,0|3,0,0]=3 45 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [0,0,0,0,0,0|3,0,0]=3 46 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [0,0,0,0,0,0|3,0,0]=3 47 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [0,0,0,0,0,0|3,0,0]=3 48 B11R0.140 O=C(NCCCO)NCCCCl WXVL_AK0073YV0130 [0,0,0,0,0,0|4,0,0]=4 49 B11R0.140 O=C(NCCCO)NCCCCl WXVL_AK0073YV0130 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [1,0,0,0,0,0|1,0,2]=4 51 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [1,0,0,0,0,0|1,0,2]=4 52 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [1,0,0,0,0,0|1,0,2]=4 53 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [1,0,0,0,0,0|1,0,2]=4 54 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,0,0,0,0,0|2,0,0]=3 61 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [1,0,0,0,0,0|2,0,0]=3 62 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,0,0,0,0,0|2,0,0]=3 63 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [1,0,0,0,0,0|2,0,0]=3 66 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [1,0,0,0,0,0|2,0,0]=3 68 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,0,0,0,0,0|2,0,0]=3 71 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [1,0,0,0,0,0|2,0,0]=3 72 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,0,0,0,0,0|2,0,0]=3 73 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,0,0,0,0,0|3,0,0]=4 79 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [1,0,0,0,0,0|3,0,0]=4 80 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [1,0,0,0,0,0|3,0,0]=4 81 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [1,0,0,0,0,0|3,0,0]=4 83 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [1,0,0,0,0,0|3,0,0]=4 85 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [1,0,0,0,0,0|3,0,0]=4 86 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [1,0,0,0,0,0|3,0,0]=4 87 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [1,0,0,0,0,0|3,0,0]=4 88 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [1,0,0,0,0,0|3,0,0]=4 89 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [1,0,0,0,0,0|3,0,0]=4 91 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [1,0,0,0,0,0|3,0,0]=4 96 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,1,0,0,0,0|1,0,2]=4 97 B12R0.47 C#CCCCC(=O)NCCCCC WXVL_AK0076SB2709 [0,1,0,0,0,0|1,0,2]=4 98 B12R0.47 C#CCCCC(=O)NCCCCO WXVL_AK0075SB2709 [0,1,0,0,0,0|1,0,2]=4 99 B12R0.47 C#CCCCC(=O)NCCCCO WXVL_AK0075SB2709 [0,1,0,0,0,0|1,0,2]=4 100 B12R0.47 C#CCCCC(=O)NCCCOC WXVL_AK00637SB2709 [0,1,0,0,0,0|1,0,2]=4 101 B12R0.47 C#CCCCC(=O)NCCCOC WXVL_AK00637SB2709 [0,1,0,0,0,0|1,0,2]=4 102 B12R0.47 C#CCCCC(=O)NCCCSC WXVL_AK0965SB2709 [0,1,0,0,0,0|1,0,2]=4 103 B12R0.47 C#CCCCC(=O)NCCCSC WXVL_AK0965SB2709 [0,1,0,0,0,0|1,0,2]=4 104 B12R0.47 C#CCCCC(=O)NCCSCC WXVL_AK00494SB2709 [0,1,0,0,0,0|1,0,2]=4 105 B12R0.47 C#CCCCC(=O)NCCSCC WXVL_AK00494SB2709 [0,1,0,0,0,0|1,0,2]=4 106 B12R0.47 C#CCCCNC(=O)CCCCBr WXVL_AK00218SB3153 [0,1,0,0,0,0|2,0,1]=4 107 B12R0.47 C#CCCCNC(=O)CCCCBr WXVL_AK00218SB3153 [0,1,0,0,0,0|2,0,1]=4 108 B12R0.47 C#CCCCNC(=O)CCCCCl WXVL_AK00218SB0379 [0,1,0,0,0,0|2,0,1]=4 109 B12R0.47 C#CCCCNC(=O)CCCCCl WXVL_AK00218SB0379 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.47 C#CCCNC(=O)CCCCCBr WXVL_AK3109SB2192 [0,1,0,0,0,0|1,0,2]=4 111 B12R0.47 C#CCCNC(=O)CCCCCBr WXVL_AK3109SB2192 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.47 C#CCCNC(=O)CCCCCO WXVL_AK3109SB2973 [0,1,0,0,0,0|1,0,2]=4 113 B12R0.47 C#CCCNC(=O)CCCCCO WXVL_AK3109SB2973 [0,1,0,0,0,0|1,0,2]=4 114 B12R0.47 C#CCOCCC(=O)NCCCC WXVL_AK00588SBD927 [0,1,0,0,0,0|1,0,2]=4 115 B12R0.47 C#CCOCCC(=O)NCCCC WXVL_AK00588SBD927 [0,1,0,0,0,0|1,0,2]=4 116 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,1,0,0,0,0|1,0,2]=4 117 B12R0.47 C=CCCCC(=O)NCCCCC WXVL_AK0076SB2920 [0,1,0,0,0,0|1,0,2]=4 118 B12R0.47 C=CCCCC(=O)NCCCCO WXVL_AK0075SB2920 [0,1,0,0,0,0|1,0,2]=4 119 B12R0.47 C=CCCCC(=O)NCCCCO WXVL_AK0075SB2920 [0,1,0,0,0,0|1,0,2]=4 120 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,1,0,0,0,0|1,0,2]=4 121 B12R0.47 C=CCCCC(=O)NCCCOC WXVL_AK00637SB2920 [0,1,0,0,0,0|1,0,2]=4 122 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,1,0,0,0,0|1,0,2]=4 123 B12R0.47 C=CCCCC(=O)NCCCSC WXVL_AK0965SB2920 [0,1,0,0,0,0|1,0,2]=4 124 B12R0.47 C=CCCCC(=O)NCCSCC WXVL_AK00494SB2920 [0,1,0,0,0,0|1,0,2]=4 125 B12R0.47 C=CCCCC(=O)NCCSCC WXVL_AK00494SB2920 [0,1,0,0,0,0|1,0,2]=4 126 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,1,0,0,0,0|1,0,2]=4 127 B12R0.47 C=CCCNC(=O)CCCCCBr WXVL_AK00138SB2192 [0,1,0,0,0,0|1,0,2]=4 128 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,1,0,0,0,0|1,0,2]=4 129 B12R0.47 C=CCCNC(=O)CCCCCO WXVL_AK00138SB2973 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,1,0,0,0,0|1,0,2]=4 131 B12R0.47 CC/C=C/CC(=O)NCCCCC WXVL_AK0076SB0349 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.47 CC/C=C/CC(=O)NCCCCO WXVL_AK0075SB0349 [0,1,0,0,0,0|1,0,2]=4 133 B12R0.47 CC/C=C/CC(=O)NCCCCO WXVL_AK0075SB0349 [0,1,0,0,0,0|1,0,2]=4 134 B12R0.47 CC/C=C/CC(=O)NCCCOC WXVL_AK00637SB0349 [0,1,0,0,0,0|1,0,2]=4 135 B12R0.47 CC/C=C/CC(=O)NCCCOC WXVL_AK00637SB0349 [0,1,0,0,0,0|1,0,2]=4 136 B12R0.47 CC/C=C/CC(=O)NCCCSC WXVL_AK0965SB0349 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.47 CC/C=C/CC(=O)NCCCSC WXVL_AK0965SB0349 [0,1,0,0,0,0|1,0,2]=4 138 B12R0.47 CC/C=C/CC(=O)NCCSCC WXVL_AK00494SB0349 [0,1,0,0,0,0|1,0,2]=4 139 B12R0.47 CC/C=C/CC(=O)NCCSCC WXVL_AK00494SB0349 [0,1,0,0,0,0|1,0,2]=4 140 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,1,0,0,0,0|2,0,1]=4 141 B12R0.47 CCCCCNC(=O)/C=C/OCC WXVL_AK0076SB3226 [0,1,0,0,0,0|2,0,1]=4 142 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,1,0,0,0,0|2,0,0]=3 143 B12R0.47 CCCCCNC(=O)CCCCBr WXVL_AK0076SB3153 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,1,0,0,0,0|2,0,0]=3 145 B12R0.47 CCCCCNC(=O)CCCCCl WXVL_AK0076SB0379 [0,1,0,0,0,0|2,0,0]=3 146 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,1,0,0,0,0|2,0,0]=3 147 B12R0.47 CCCCCNC(=O)NCCCCl WXVL_AK0076YV0130 [0,1,0,0,0,0|2,0,0]=3 148 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,1,0,0,0,0|1,0,0]=2 149 B12R0.47 CCCCNC(=O)CCCCCBr WXVL_AK00588SB2192 [0,1,0,0,0,0|1,0,0]=2 150 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,1,0,0,0,0|1,0,0]=2 151 B12R0.47 CCCCNC(=O)CCCCCO WXVL_AK00588SB2973 [0,1,0,0,0,0|1,0,0]=2 152 B12R0.47 CCCCNC(=O)COCCOC WXVL_AK00588SB0159 [0,1,0,0,0,0|2,0,0]=3 153 B12R0.47 CCCCNC(=O)COCCOC WXVL_AK00588SB0159 [0,1,0,0,0,0|2,0,0]=3 154 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,1,0,0,0,0|2,0,0]=3 155 B12R0.47 CCSCCNC(=O)CCCCBr WXVL_AK00494SB3153 [0,1,0,0,0,0|2,0,0]=3 156 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,1,0,0,0,0|2,0,0]=3 157 B12R0.47 CCSCCNC(=O)CCCCCl WXVL_AK00494SB0379 [0,1,0,0,0,0|2,0,0]=3 158 B12R0.47 CCSCCNC(=O)NCCCCl WXVL_AK00494YV0130 [0,1,0,0,0,0|3,0,0]=4 159 B12R0.47 CCSCCNC(=O)NCCCCl WXVL_AK00494YV0130 [0,1,0,0,0,0|3,0,0]=4 160 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,1,0,0,0,0|2,0,0]=3 161 B12R0.47 COCCCNC(=O)CCCCBr WXVL_AK00637SB3153 [0,1,0,0,0,0|2,0,0]=3 162 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,1,0,0,0,0|2,0,0]=3 163 B12R0.47 COCCCNC(=O)CCCCCl WXVL_AK00637SB0379 [0,1,0,0,0,0|2,0,0]=3 164 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,1,0,0,0,0|3,0,0]=4 165 B12R0.47 COCCCNC(=O)NCCCCl WXVL_AK00637YV0130 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.47 COCCOCC(=O)NCCCO WXVL_AK0073SB0159 [0,1,0,0,0,0|3,0,0]=4 167 B12R0.47 COCCOCC(=O)NCCCO WXVL_AK0073SB0159 [0,1,0,0,0,0|3,0,0]=4 168 B12R0.47 COCCOCC(=O)NCCSC WXVL_AK00440SB0159 [0,1,0,0,0,0|3,0,0]=4 169 B12R0.47 COCCOCC(=O)NCCSC WXVL_AK00440SB0159 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,1,0,0,0,0|2,0,0]=3 171 B12R0.47 CSCCCNC(=O)CCCCBr WXVL_AK0965SB3153 [0,1,0,0,0,0|2,0,0]=3 172 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,1,0,0,0,0|2,0,0]=3 173 B12R0.47 CSCCCNC(=O)CCCCCl WXVL_AK0965SB0379 [0,1,0,0,0,0|2,0,0]=3 174 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,1,0,0,0,0|3,0,0]=4 175 B12R0.47 CSCCCNC(=O)NCCCCl WXVL_AK0965YV0130 [0,1,0,0,0,0|3,0,0]=4 176 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,1,0,0,0,0|2,0,0]=3 177 B12R0.47 CSCCNC(=O)CCCCCBr WXVL_AK00440SB2192 [0,1,0,0,0,0|2,0,0]=3 178 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,1,0,0,0,0|2,0,0]=3 179 B12R0.47 CSCCNC(=O)CCCCCO WXVL_AK00440SB2973 [0,1,0,0,0,0|2,0,0]=3 180 B12R0.47 N#CCCNC(=O)CCCCCBr WXVL_AK0087SB2192 [0,1,0,0,0,0|2,0,1]=4 181 B12R0.47 N#CCCNC(=O)CCCCCBr WXVL_AK0087SB2192 [0,1,0,0,0,0|2,0,1]=4 182 B12R0.47 N#CCCNC(=O)CCCCCO WXVL_AK0087SB2973 [0,1,0,0,0,0|2,0,1]=4 183 B12R0.47 N#CCCNC(=O)CCCCCO WXVL_AK0087SB2973 [0,1,0,0,0,0|2,0,1]=4 184 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,1,0,0,0,0|2,0,0]=3 185 B12R0.47 O=C(CCCCBr)NCCCCO WXVL_AK0075SB3153 [0,1,0,0,0,0|2,0,0]=3 186 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,1,0,0,0,0|2,0,0]=3 187 B12R0.47 O=C(CCCCCBr)NCCCO WXVL_AK0073SB2192 [0,1,0,0,0,0|2,0,0]=3 188 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,1,0,0,0,0|2,0,0]=3 189 B12R0.47 O=C(CCCCCO)NCCCO WXVL_AK0073SB2973 [0,1,0,0,0,0|2,0,0]=3 190 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,1,0,0,0,0|2,0,0]=3 191 B12R0.47 O=C(CCCCCl)NCCCCO WXVL_AK0075SB0379 [0,1,0,0,0,0|2,0,0]=3 192 B12R0.47 O=C(NCCCCl)NCCCCO WXVL_AK0075YV0130 [0,1,0,0,0,0|3,0,0]=4 193 B12R0.47 O=C(NCCCCl)NCCCCO WXVL_AK0075YV0130 [0,1,0,0,0,0|3,0,0]=4 194 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,1,0,0,0,0|2,0,1]=4 195 B12R0.142 CCCCNC(=O)CCC(=O)OC WXVL_AK00588SB0069 [0,1,0,0,0,0|2,0,1]=4 196 B12R0.142 CO[C@H](C)CNC(=O)CCCCBr WXVL_AK00704SB3153 [0,1,0,0,0,0|3,0,0]=4 197 B12R0.142 CO[C@H](C)CNC(=O)CCCCBr WXVL_AK00704SB3153 [0,1,0,0,0,0|3,0,0]=4 198 B12R0.142 CO[C@H](C)CNC(=O)CCCCCl WXVL_AK00704SB0379 [0,1,0,0,0,0|3,0,0]=4 199 B12R0.142 CO[C@H](C)CNC(=O)CCCCCl WXVL_AK00704SB0379 [0,1,0,0,0,0|3,0,0]=4 200 B12R0.142 O=C(CCCCBr)NC[C@@H](F)CO WXVL_AK00590SB3153 [0,1,0,0,0,0|3,0,0]=4 201 B12R0.142 O=C(CCCCBr)NC[C@@H](F)CO WXVL_AK00590SB3153 [0,1,0,0,0,0|3,0,0]=4 202 B12R0.142 O=C(CCCCBr)NC[C@H](O)CO WXVL_AK00483SB3153 [0,1,0,0,0,0|3,0,0]=4 203 B12R0.142 O=C(CCCCBr)NC[C@H](O)CO WXVL_AK00483SB3153 [0,1,0,0,0,0|3,0,0]=4 204 B12R0.142 O=C(CCCCCl)NC[C@@H](F)CO WXVL_AK00590SB0379 [0,1,0,0,0,0|3,0,0]=4 205 B12R0.142 O=C(CCCCCl)NC[C@@H](F)CO WXVL_AK00590SB0379 [0,1,0,0,0,0|3,0,0]=4 206 B12R0.142 O=C(CCCCCl)NC[C@H](O)CO WXVL_AK00483SB0379 [0,1,0,0,0,0|3,0,0]=4 207 B12R0.142 O=C(CCCCCl)NC[C@H](O)CO WXVL_AK00483SB0379 [0,1,0,0,0,0|3,0,0]=4 208 B12R0.233 C#CCCCC(=O)NCCC(C)C WXVL_AK0068SB2709 [0,1,0,0,0,0|1,0,2]=4 209 B12R0.233 C#CCCCC(=O)NCCC(C)C WXVL_AK0068SB2709 [0,1,0,0,0,0|1,0,2]=4 210 B12R0.233 C#CCCNC(=O)CCCC(C)C WXVL_AK3109SB1301 [0,1,0,0,0,0|1,0,2]=4 211 B12R0.233 C#CCCNC(=O)CCCC(C)C WXVL_AK3109SB1301 [0,1,0,0,0,0|1,0,2]=4 212 B12R0.233 C=CCCCC(=O)NCCC(C)C WXVL_AK0068SB2920 [0,1,0,0,0,0|1,0,2]=4 213 B12R0.233 C=CCCCC(=O)NCCC(C)C WXVL_AK0068SB2920 [0,1,0,0,0,0|1,0,2]=4 214 B12R0.233 C=CCCNC(=O)CCCC(C)C WXVL_AK00138SB1301 [0,1,0,0,0,0|1,0,2]=4 215 B12R0.233 C=CCCNC(=O)CCCC(C)C WXVL_AK00138SB1301 [0,1,0,0,0,0|1,0,2]=4 216 B12R0.233 CC(C)CCCC(=O)NCCC#N WXVL_AK0087SB1301 [0,1,0,0,0,0|2,0,1]=4 217 B12R0.233 CC(C)CCCC(=O)NCCC#N WXVL_AK0087SB1301 [0,1,0,0,0,0|2,0,1]=4 218 B12R0.233 CC(C)CCCC(=O)NCCCO WXVL_AK0073SB1301 [0,1,0,0,0,0|2,0,0]=3 219 B12R0.233 CC(C)CCCC(=O)NCCCO WXVL_AK0073SB1301 [0,1,0,0,0,0|2,0,0]=3 220 B12R0.233 CC(C)CCNC(=O)CCCCBr WXVL_AK0068SB3153 [0,1,0,0,0,0|2,0,0]=3 221 B12R0.233 CC(C)CCNC(=O)CCCCBr WXVL_AK0068SB3153 [0,1,0,0,0,0|2,0,0]=3 222 B12R0.233 CC(C)CCNC(=O)CCCCCl WXVL_AK0068SB0379 [0,1,0,0,0,0|2,0,0]=3 223 B12R0.233 CC(C)CCNC(=O)CCCCCl WXVL_AK0068SB0379 [0,1,0,0,0,0|2,0,0]=3 224 B12R0.233 CC(C)CCNC(=O)NCCCCl WXVL_AK0068YV0130 [0,1,0,0,0,0|3,0,0]=4 225 B12R0.233 CC(C)CCNC(=O)NCCCCl WXVL_AK0068YV0130 [0,1,0,0,0,0|3,0,0]=4 226 B12R0.233 CC/C=C/CC(=O)NCCC(C)C WXVL_AK0068SB0349 [0,1,0,0,0,0|1,0,2]=4 227 B12R0.233 CC/C=C/CC(=O)NCCC(C)C WXVL_AK0068SB0349 [0,1,0,0,0,0|1,0,2]=4 228 B12R0.233 CCCCNC(=O)CCC=C(C)C WXVL_AK00588SB00030 [0,1,0,0,0,0|1,0,2]=4 229 B12R0.233 CCCCNC(=O)CCC=C(C)C WXVL_AK00588SB00030 [0,1,0,0,0,0|1,0,2]=4 230 B12R0.233 CCCCNC(=O)CCCC(C)C WXVL_AK00588SB1301 [0,1,0,0,0,0|1,0,0]=2 231 B12R0.233 CCCCNC(=O)CCCC(C)C WXVL_AK00588SB1301 [0,1,0,0,0,0|1,0,0]=2 232 B12R0.233 CCCCNC(=O)CCCN(C)C WXVL_AK00588SB00055 [0,1,0,0,0,0|2,0,0]=3 233 B12R0.233 CCCCNC(=O)CCCN(C)C WXVL_AK00588SB00055 [0,1,0,0,0,0|2,0,0]=3 234 B12R0.233 CCCCNC(=O)CCNC(=O)C WXVL_AK00588SB0374 [0,1,0,0,0,0|2,0,1]=4 235 B12R0.233 CCCCNC(=O)CCNC(=O)C WXVL_AK00588SB0374 [0,1,0,0,0,0|2,0,1]=4 236 B12R0.233 CN(C)CCCC(=O)NCCCO WXVL_AK0073SB00055 [0,1,0,0,0,0|3,0,0]=4 237 B12R0.233 CN(C)CCCC(=O)NCCCO WXVL_AK0073SB00055 [0,1,0,0,0,0|3,0,0]=4 238 B12R0.233 CN(C)CCNC(=O)CCCCBr WXVL_AK0058SB3153 [0,1,0,0,0,0|3,0,0]=4 239 B12R0.233 CN(C)CCNC(=O)CCCCBr WXVL_AK0058SB3153 [0,1,0,0,0,0|3,0,0]=4 240 B12R0.233 CN(C)CCNC(=O)CCCCCl WXVL_AK0058SB0379 [0,1,0,0,0,0|3,0,0]=4 241 B12R0.233 CN(C)CCNC(=O)CCCCCl WXVL_AK0058SB0379 [0,1,0,0,0,0|3,0,0]=4 242 B12R0.233 CSCCNC(=O)CCCC(C)C WXVL_AK00440SB1301 [0,1,0,0,0,0|2,0,0]=3 243 B12R0.233 CSCCNC(=O)CCCC(C)C WXVL_AK00440SB1301 [0,1,0,0,0,0|2,0,0]=3 244 B12R0.233 CSCCNC(=O)CCCN(C)C WXVL_AK00440SB00055 [0,1,0,0,0,0|3,0,0]=4 245 B12R0.233 CSCCNC(=O)CCCN(C)C WXVL_AK00440SB00055 [0,1,0,0,0,0|3,0,0]=4 246 B12R0.239 C#CCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2709 [0,1,0,0,0,0|1,0,2]=4 247 B12R0.239 C#CCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2709 [0,1,0,0,0,0|1,0,2]=4 248 B12R0.239 C=CCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2920 [0,1,0,0,0,0|1,0,2]=4 249 B12R0.239 C=CCCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB2920 [0,1,0,0,0,0|1,0,2]=4 250 B12R0.239 CC(CCO)NC(=O)CCCCBr WXVL_AK1288SB3153 [0,1,0,0,0,0|3,0,0]=4 251 B12R0.239 CC(CCO)NC(=O)CCCCBr WXVL_AK1288SB3153 [0,1,0,0,0,0|3,0,0]=4 252 B12R0.239 CC(CCO)NC(=O)CCCCCl WXVL_AK1288SB0379 [0,1,0,0,0,0|3,0,0]=4 253 B12R0.239 CC(CCO)NC(=O)CCCCCl WXVL_AK1288SB0379 [0,1,0,0,0,0|3,0,0]=4 254 B12R0.239 CC/C=C/CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0349 [0,1,0,0,0,0|1,0,2]=4 255 B12R0.239 CC/C=C/CC(=O)N[C@@H](C)CCC WXVL_AK00682SB0349 [0,1,0,0,0,0|1,0,2]=4 256 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,1,0,0,0,0|2,0,1]=4 257 B12R0.239 CCCCNC(=O)CC(=O)OCC WXVL_AK00588SB3094 [0,1,0,0,0,0|2,0,1]=4 258 B12R0.239 CCC[C@H](C)NC(=O)CCCCBr WXVL_AK00682SB3153 [0,1,0,0,0,0|2,0,0]=3 259 B12R0.239 CCC[C@H](C)NC(=O)CCCCBr WXVL_AK00682SB3153 [0,1,0,0,0,0|2,0,0]=3 260 B12R0.239 CCC[C@H](C)NC(=O)CCCCCl WXVL_AK00682SB0379 [0,1,0,0,0,0|2,0,0]=3 261 B12R0.239 CCC[C@H](C)NC(=O)CCCCCl WXVL_AK00682SB0379 [0,1,0,0,0,0|2,0,0]=3 262 B12R0.239 CCC[C@H](C)NC(=O)NCCCCl WXVL_AK00682YV0130 [0,1,0,0,0,0|3,0,0]=4 263 B12R0.239 CCC[C@H](C)NC(=O)NCCCCl WXVL_AK00682YV0130 [0,1,0,0,0,0|3,0,0]=4 264 B12R0.239 COC[C@@H](C)NC(=O)CCCCBr WXVL_AK00613SB3153 [0,1,0,0,0,0|3,0,0]=4 265 B12R0.239 COC[C@@H](C)NC(=O)CCCCBr WXVL_AK00613SB3153 [0,1,0,0,0,0|3,0,0]=4 266 B12R0.239 COC[C@@H](C)NC(=O)CCCCCl WXVL_AK00613SB0379 [0,1,0,0,0,0|3,0,0]=4 267 B12R0.239 COC[C@@H](C)NC(=O)CCCCCl WXVL_AK00613SB0379 [0,1,0,0,0,0|3,0,0]=4 268 B12R0.239 COC[C@H](C)NC(=O)CCCCBr WXVL_AK0137SB3153 [0,1,0,0,0,0|3,0,0]=4 269 B12R0.239 COC[C@H](C)NC(=O)CCCCBr WXVL_AK0137SB3153 [0,1,0,0,0,0|3,0,0]=4 270 B12R0.239 COC[C@H](C)NC(=O)CCCCCl WXVL_AK0137SB0379 [0,1,0,0,0,0|3,0,0]=4 271 B12R0.239 COC[C@H](C)NC(=O)CCCCCl WXVL_AK0137SB0379 [0,1,0,0,0,0|3,0,0]=4 272 B12R0.634 CCCCNS(=O)(=O)CCCCCl WXVL_AK00588HU0456 [0,1,0,0,0,0|3,0,0]=4 273 B12R0.634 CCCCNS(=O)(=O)CCCCCl WXVL_AK00588HU0456 [0,1,0,0,0,0|3,0,0]=4 274 B12R0.634 CCCCNS(=O)(=O)CCOCC WXVL_AK00588HU0315 [0,1,0,0,0,0|3,0,0]=4 275 B12R0.634 CCCCNS(=O)(=O)CCOCC WXVL_AK00588HU0315 [0,1,0,0,0,0|3,0,0]=4 276 B12R0.648 C#CCCNC(=O)C(O)CCCC WXVL_AK3109SB3429 [0,1,0,0,0,0|1,0,2]=4 277 B12R0.648 C#CCCNC(=O)C(O)CCCC WXVL_AK3109SB3429 [0,1,0,0,0,0|1,0,2]=4 278 B12R0.648 C=CCCNC(=O)C(O)CCCC WXVL_AK00138SB3429 [0,1,0,0,0,0|1,0,2]=4 279 B12R0.648 C=CCCNC(=O)C(O)CCCC WXVL_AK00138SB3429 [0,1,0,0,0,0|1,0,2]=4 280 B12R0.648 CCCCC(O)C(=O)NCCC#N WXVL_AK0087SB3429 [0,1,0,0,0,0|2,0,1]=4 281 B12R0.648 CCCCC(O)C(=O)NCCC#N WXVL_AK0087SB3429 [0,1,0,0,0,0|2,0,1]=4 282 B12R0.648 CCCCC(O)C(=O)NCCCO WXVL_AK0073SB3429 [0,1,0,0,0,0|2,0,0]=3 283 B12R0.648 CCCCC(O)C(=O)NCCCO WXVL_AK0073SB3429 [0,1,0,0,0,0|2,0,0]=3 284 B12R0.648 CCCCC(O)C(=O)NCCSC WXVL_AK00440SB3429 [0,1,0,0,0,0|2,0,0]=3 285 B12R0.648 CCCCC(O)C(=O)NCCSC WXVL_AK00440SB3429 [0,1,0,0,0,0|2,0,0]=3 286 B12R0.648 CCCCNC(=O)C(O)CCCC WXVL_AK00588SB3429 [0,1,0,0,0,0|1,0,0]=2 287 B12R0.648 CCCCNC(=O)C(O)CCCC WXVL_AK00588SB3429 [0,1,0,0,0,0|1,0,0]=2 288 B12R0.648 COCCN(C)C(=O)CCCCBr WXVL_AN0085SB3153 [0,1,0,0,0,0|3,0,0]=4 289 B12R0.648 COCCN(C)C(=O)CCCCBr WXVL_AN0085SB3153 [0,1,0,0,0,0|3,0,0]=4 290 B12R0.648 COCCN(C)C(=O)CCCCCl WXVL_AN0085SB0379 [0,1,0,0,0,0|3,0,0]=4 291 B12R0.648 COCCN(C)C(=O)CCCCCl WXVL_AN0085SB0379 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.35 C#CCCCC(=O)N1CCCC1 WXVL_AN0008SB2709 [0,0,0,1,0,0|1,0,2]=4 293 B12R1.35 C#CCCCC(=O)N1CCCC1 WXVL_AN0008SB2709 [0,0,0,1,0,0|1,0,2]=4 294 B12R1.35 C#CCCNC(=O)C1CCCC1 WXVL_AK3109SB0043 [0,0,0,1,0,0|1,0,2]=4 295 B12R1.35 C#CCCNC(=O)C1CCCC1 WXVL_AK3109SB0043 [0,0,0,1,0,0|1,0,2]=4 296 B12R1.35 C=CCCCC(=O)N1CCCC1 WXVL_AN0008SB2920 [0,0,0,1,0,0|1,0,2]=4 297 B12R1.35 C=CCCCC(=O)N1CCCC1 WXVL_AN0008SB2920 [0,0,0,1,0,0|1,0,2]=4 298 B12R1.35 C=CCCNC(=O)C1CCCC1 WXVL_AK00138SB0043 [0,0,0,1,0,0|1,0,2]=4 299 B12R1.35 C=CCCNC(=O)C1CCCC1 WXVL_AK00138SB0043 [0,0,0,1,0,0|1,0,2]=4 300 B12R1.35 CC/C=C/CC(=O)N1CCCC1 WXVL_AN0008SB0349 [0,0,0,1,0,0|1,0,2]=4 301 B12R1.35 CC/C=C/CC(=O)N1CCCC1 WXVL_AN0008SB0349 [0,0,0,1,0,0|1,0,2]=4 302 B12R1.35 CCCCNC(=O)C1CCCC1 WXVL_AK00588SB0043 [0,0,0,1,0,0|1,0,0]=2 303 B12R1.35 CCCCNC(=O)C1CCCC1 WXVL_AK00588SB0043 [0,0,0,1,0,0|1,0,0]=2 304 B12R1.35 CCCCNC(=O)C1CCCO1 WXVL_AK00588SB1033 [0,0,0,1,0,0|2,0,0]=3 305 B12R1.35 CCCCNC(=O)C1CCCO1 WXVL_AK00588SB1033 [0,0,0,1,0,0|2,0,0]=3 306 B12R1.35 CCCCNC(=O)C1CCCS1 WXVL_AK00588SB0022 [0,0,0,1,0,0|2,0,0]=3 307 B12R1.35 CCCCNC(=O)C1CCCS1 WXVL_AK00588SB0022 [0,0,0,1,0,0|2,0,0]=3 308 B12R1.35 CCCCNC(=O)[C@H]1CCCO1 WXVL_AK00588SB00043 [0,0,0,1,0,0|2,0,0]=3 309 B12R1.35 CCCCNC(=O)[C@H]1CCCO1 WXVL_AK00588SB00043 [0,0,0,1,0,0|2,0,0]=3 310 B12R1.35 CSCCNC(=O)C1CCCC1 WXVL_AK00440SB0043 [0,0,0,1,0,0|2,0,0]=3 311 B12R1.35 CSCCNC(=O)C1CCCC1 WXVL_AK00440SB0043 [0,0,0,1,0,0|2,0,0]=3 312 B12R1.35 CSCCNC(=O)C1CCCO1 WXVL_AK00440SB1033 [0,0,0,1,0,0|3,0,0]=4 313 B12R1.35 CSCCNC(=O)C1CCCO1 WXVL_AK00440SB1033 [0,0,0,1,0,0|3,0,0]=4 314 B12R1.35 CSCCNC(=O)C1CCCS1 WXVL_AK00440SB0022 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.35 CSCCNC(=O)C1CCCS1 WXVL_AK00440SB0022 [0,0,0,1,0,0|3,0,0]=4 316 B12R1.35 CSCCNC(=O)[C@H]1CCCO1 WXVL_AK00440SB00043 [0,0,0,1,0,0|3,0,0]=4 317 B12R1.35 CSCCNC(=O)[C@H]1CCCO1 WXVL_AK00440SB00043 [0,0,0,1,0,0|3,0,0]=4 318 B12R1.35 N#CCCNC(=O)C1CCCC1 WXVL_AK0087SB0043 [0,0,0,1,0,0|2,0,1]=4 319 B12R1.35 N#CCCNC(=O)C1CCCC1 WXVL_AK0087SB0043 [0,0,0,1,0,0|2,0,1]=4 320 B12R1.35 O=C(CCCCBr)N1CCCC1 WXVL_AN0008SB3153 [0,0,0,1,0,0|2,0,0]=3 321 B12R1.35 O=C(CCCCBr)N1CCCC1 WXVL_AN0008SB3153 [0,0,0,1,0,0|2,0,0]=3 322 B12R1.35 O=C(CCCCCl)N1CCCC1 WXVL_AN0008SB0379 [0,0,0,1,0,0|2,0,0]=3 323 B12R1.35 O=C(CCCCCl)N1CCCC1 WXVL_AN0008SB0379 [0,0,0,1,0,0|2,0,0]=3 324 B12R1.35 O=C(NCCCCl)N1CCCC1 WXVL_AN0008YV0130 [0,0,0,1,0,0|3,0,0]=4 325 B12R1.35 O=C(NCCCCl)N1CCCC1 WXVL_AN0008YV0130 [0,0,0,1,0,0|3,0,0]=4 326 B12R1.35 O=C(NCCCO)C1CCCC1 WXVL_AK0073SB0043 [0,0,0,1,0,0|2,0,0]=3 327 B12R1.35 O=C(NCCCO)C1CCCC1 WXVL_AK0073SB0043 [0,0,0,1,0,0|2,0,0]=3 328 B12R1.35 O=C(NCCCO)C1CCCO1 WXVL_AK0073SB1033 [0,0,0,1,0,0|3,0,0]=4 329 B12R1.35 O=C(NCCCO)C1CCCO1 WXVL_AK0073SB1033 [0,0,0,1,0,0|3,0,0]=4 330 B12R1.35 O=C(NCCCO)C1CCCS1 WXVL_AK0073SB0022 [0,0,0,1,0,0|3,0,0]=4 331 B12R1.35 O=C(NCCCO)C1CCCS1 WXVL_AK0073SB0022 [0,0,0,1,0,0|3,0,0]=4 332 B12R1.35 O=C(NCCCO)[C@H]1CCCO1 WXVL_AK0073SB00043 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.35 O=C(NCCCO)[C@H]1CCCO1 WXVL_AK0073SB00043 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.483 C#CCCNC(=O)CC1CCC1 WXVL_AK3109SB2207 [0,0,0,1,0,0|1,0,2]=4 335 B12R1.483 C#CCCNC(=O)CC1CCC1 WXVL_AK3109SB2207 [0,0,0,1,0,0|1,0,2]=4 336 B12R1.483 C=CCCNC(=O)CC1CCC1 WXVL_AK00138SB2207 [0,0,0,1,0,0|1,0,2]=4 337 B12R1.483 C=CCCNC(=O)CC1CCC1 WXVL_AK00138SB2207 [0,0,0,1,0,0|1,0,2]=4 338 B12R1.483 CCCCNC(=O)CC1CCC1 WXVL_AK00588SB2207 [0,0,0,1,0,0|1,0,0]=2 339 B12R1.483 CCCCNC(=O)CC1CCC1 WXVL_AK00588SB2207 [0,0,0,1,0,0|1,0,0]=2 340 B12R1.483 CSCCNC(=O)CC1CCC1 WXVL_AK00440SB2207 [0,0,0,1,0,0|2,0,0]=3 341 B12R1.483 CSCCNC(=O)CC1CCC1 WXVL_AK00440SB2207 [0,0,0,1,0,0|2,0,0]=3 342 B12R1.483 N#CCCNC(=O)CC1CCC1 WXVL_AK0087SB2207 [0,0,0,1,0,0|2,0,1]=4 343 B12R1.483 N#CCCNC(=O)CC1CCC1 WXVL_AK0087SB2207 [0,0,0,1,0,0|2,0,1]=4 344 B12R1.483 O=C(CC1CCC1)NCCCO WXVL_AK0073SB2207 [0,0,0,1,0,0|2,0,0]=3 345 B12R1.483 O=C(CC1CCC1)NCCCO WXVL_AK0073SB2207 [0,0,0,1,0,0|2,0,0]=3 346 B12R1.483 O=C(CCCCBr)NC1CNC1 WXVL_AK1291SB3153 [0,0,0,1,0,0|3,0,0]=4 347 B12R1.483 O=C(CCCCBr)NC1CNC1 WXVL_AK1291SB3153 [0,0,0,1,0,0|3,0,0]=4 348 B12R1.483 O=C(CCCCBr)NC1CSC1 WXVL_AK2089SB3153 [0,0,0,1,0,0|3,0,0]=4 349 B12R1.483 O=C(CCCCBr)NC1CSC1 WXVL_AK2089SB3153 [0,0,0,1,0,0|3,0,0]=4 350 B12R1.483 O=C(CCCCCl)NC1CNC1 WXVL_AK1291SB0379 [0,0,0,1,0,0|3,0,0]=4 351 B12R1.483 O=C(CCCCCl)NC1CNC1 WXVL_AK1291SB0379 [0,0,0,1,0,0|3,0,0]=4 352 B12R1.483 O=C(CCCCCl)NC1CSC1 WXVL_AK2089SB0379 [0,0,0,1,0,0|3,0,0]=4 353 B12R1.483 O=C(CCCCCl)NC1CSC1 WXVL_AK2089SB0379 [0,0,0,1,0,0|3,0,0]=4 354 B12R1.484 C#CCCNC(=O)CCC1CC1 WXVL_AK3109SB5360 [0,0,0,1,0,0|1,0,2]=4 355 B12R1.484 C#CCCNC(=O)CCC1CC1 WXVL_AK3109SB5360 [0,0,0,1,0,0|1,0,2]=4 356 B12R1.484 C=CCCNC(=O)CCC1CC1 WXVL_AK00138SB5360 [0,0,0,1,0,0|1,0,2]=4 357 B12R1.484 C=CCCNC(=O)CCC1CC1 WXVL_AK00138SB5360 [0,0,0,1,0,0|1,0,2]=4 358 B12R1.484 CCCCNC(=O)C=CC1CC1 WXVL_AK00588SB4216 [0,0,0,1,0,0|1,0,2]=4 359 B12R1.484 CCCCNC(=O)C=CC1CC1 WXVL_AK00588SB4216 [0,0,0,1,0,0|1,0,2]=4 360 B12R1.484 CCCCNC(=O)CCC1CC1 WXVL_AK00588SB5360 [0,0,0,1,0,0|1,0,0]=2 361 B12R1.484 CCCCNC(=O)CCC1CC1 WXVL_AK00588SB5360 [0,0,0,1,0,0|1,0,0]=2 362 B12R1.484 CSCCNC(=O)CCC1CC1 WXVL_AK00440SB5360 [0,0,0,1,0,0|2,0,0]=3 363 B12R1.484 CSCCNC(=O)CCC1CC1 WXVL_AK00440SB5360 [0,0,0,1,0,0|2,0,0]=3 364 B12R1.484 N#CCCNC(=O)CCC1CC1 WXVL_AK0087SB5360 [0,0,0,1,0,0|2,0,1]=4 365 B12R1.484 N#CCCNC(=O)CCC1CC1 WXVL_AK0087SB5360 [0,0,0,1,0,0|2,0,1]=4 366 B12R1.484 O=C(CCC1CC1)NCCCO WXVL_AK0073SB5360 [0,0,0,1,0,0|2,0,0]=3 367 B12R1.484 O=C(CCC1CC1)NCCCO WXVL_AK0073SB5360 [0,0,0,1,0,0|2,0,0]=3 368 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [2,0,0,0,0,0|2,0,0]=4 369 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [2,0,0,0,0,0|2,0,0]=4 370 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [2,0,0,0,0,0|2,0,0]=4 371 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [2,0,0,0,0,0|2,0,0]=4 372 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|1,0,0]=3 373 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [2,0,0,0,0,0|1,0,0]=3 374 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [2,0,0,0,0,0|2,0,0]=4 375 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [2,0,0,0,0,0|2,0,0]=4 376 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [2,0,0,0,0,0|2,0,0]=4 377 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [2,0,0,0,0,0|2,0,0]=4 378 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 379 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [2,0,0,0,0,0|2,0,0]=4 382 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [2,0,0,0,0,0|2,0,0]=4 383 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [2,0,0,0,0,0|2,0,0]=4 384 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [2,0,0,0,0,0|2,0,0]=4 385 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [2,0,0,0,0,0|2,0,0]=4 386 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [2,0,0,0,0,0|2,0,0]=4 387 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [2,0,0,0,0,0|2,0,0]=4 390 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [1,1,0,0,0,0|2,0,0]=4 391 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [1,1,0,0,0,0|2,0,0]=4 392 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [1,1,0,0,0,0|2,0,0]=4 393 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [1,1,0,0,0,0|2,0,0]=4 394 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [1,1,0,0,0,0|2,0,0]=4 395 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [1,1,0,0,0,0|2,0,0]=4 396 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [1,1,0,0,0,0|2,0,0]=4 397 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [1,1,0,0,0,0|2,0,0]=4 398 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [1,1,0,0,0,0|1,0,0]=3 399 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [1,1,0,0,0,0|1,0,0]=3 400 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [1,1,0,0,0,0|2,0,0]=4 401 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [1,1,0,0,0,0|2,0,0]=4 402 B11R0.46 CC(C)CCC(=O)NCCCO WXVL_AK0073SB0354 [1,1,0,0,0,0|2,0,0]=4 403 B11R0.46 CC(C)CCC(=O)NCCCO WXVL_AK0073SB0354 [1,1,0,0,0,0|2,0,0]=4 404 B11R0.46 CC(C)CNC(=O)CCCCBr WXVL_AK00544SB3153 [1,1,0,0,0,0|2,0,0]=4 405 B11R0.46 CC(C)CNC(=O)CCCCBr WXVL_AK00544SB3153 [1,1,0,0,0,0|2,0,0]=4 406 B11R0.46 CC(C)CNC(=O)CCCCCl WXVL_AK00544SB0379 [1,1,0,0,0,0|2,0,0]=4 407 B11R0.46 CC(C)CNC(=O)CCCCCl WXVL_AK00544SB0379 [1,1,0,0,0,0|2,0,0]=4 408 B11R0.46 CC(O)CNC(=O)CCCCBr WXVL_AK0052SB3153 [1,1,0,0,0,0|2,0,0]=4 409 B11R0.46 CC(O)CNC(=O)CCCCBr WXVL_AK0052SB3153 [1,1,0,0,0,0|2,0,0]=4 410 B11R0.46 CC(O)CNC(=O)CCCCCl WXVL_AK0052SB0379 [1,1,0,0,0,0|2,0,0]=4 411 B11R0.46 CC(O)CNC(=O)CCCCCl WXVL_AK0052SB0379 [1,1,0,0,0,0|2,0,0]=4 412 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [1,1,0,0,0,0|1,0,1]=4 413 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [1,1,0,0,0,0|1,0,1]=4 414 B11R0.46 CCCCNC(=O)CCC(C)C WXVL_AK00588SB0354 [1,1,0,0,0,0|1,0,0]=3 415 B11R0.46 CCCCNC(=O)CCC(C)C WXVL_AK00588SB0354 [1,1,0,0,0,0|1,0,0]=3 416 B11R0.46 CCCCNC(=O)CCN(C)C WXVL_AK00588SB00052 [1,1,0,0,0,0|2,0,0]=4 417 B11R0.46 CCCCNC(=O)CCN(C)C WXVL_AK00588SB00052 [1,1,0,0,0,0|2,0,0]=4 418 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [1,1,0,0,0,0|2,0,0]=4 419 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [1,1,0,0,0,0|2,0,0]=4 420 B11R0.46 CSCCNC(=O)CCC(C)C WXVL_AK00440SB0354 [1,1,0,0,0,0|2,0,0]=4 421 B11R0.46 CSCCNC(=O)CCC(C)C WXVL_AK00440SB0354 [1,1,0,0,0,0|2,0,0]=4 422 B11R0.46 C[C@H](O)CNC(=O)CCCCBr WXVL_AK0113SB3153 [1,1,0,0,0,0|2,0,0]=4 423 B11R0.46 C[C@H](O)CNC(=O)CCCCBr WXVL_AK0113SB3153 [1,1,0,0,0,0|2,0,0]=4 424 B11R0.46 C[C@H](O)CNC(=O)CCCCCl WXVL_AK0113SB0379 [1,1,0,0,0,0|2,0,0]=4 425 B11R0.46 C[C@H](O)CNC(=O)CCCCCl WXVL_AK0113SB0379 [1,1,0,0,0,0|2,0,0]=4 426 B11R0.147 CC(C)CCCC(=O)NCCF WXVL_AK00466SB1301 [1,1,0,0,0,0|2,0,0]=4 427 B11R0.147 CC(C)CCCC(=O)NCCF WXVL_AK00466SB1301 [1,1,0,0,0,0|2,0,0]=4 428 B11R0.147 CCCNC(=O)CCCC(C)C WXVL_AK00504SB1301 [1,1,0,0,0,0|1,0,0]=3 429 B11R0.147 CCCNC(=O)CCCC(C)C WXVL_AK00504SB1301 [1,1,0,0,0,0|1,0,0]=3 430 B11R0.147 CCCNC(=O)CCCN(C)C WXVL_AK00504SB00055 [1,1,0,0,0,0|2,0,0]=4 431 B11R0.147 CCCNC(=O)CCCN(C)C WXVL_AK00504SB00055 [1,1,0,0,0,0|2,0,0]=4 432 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [1,1,0,0,0,0|2,0,0]=4 433 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [1,1,0,0,0,0|2,0,0]=4 434 B11R0.147 CCSCC(=O)NCCC(C)C WXVL_AK0068SB0002 [1,1,0,0,0,0|2,0,0]=4 435 B11R0.147 CCSCC(=O)NCCC(C)C WXVL_AK0068SB0002 [1,1,0,0,0,0|2,0,0]=4 436 B11R0.147 COCCC(=O)NCCC(C)C WXVL_AK0068SB0156 [1,1,0,0,0,0|2,0,0]=4 437 B11R0.147 COCCC(=O)NCCC(C)C WXVL_AK0068SB0156 [1,1,0,0,0,0|2,0,0]=4 438 B11R0.147 CSCCC(=O)NCCC(C)C WXVL_AK0068SB0361 [1,1,0,0,0,0|2,0,0]=4 439 B11R0.147 CSCCC(=O)NCCC(C)C WXVL_AK0068SB0361 [1,1,0,0,0,0|2,0,0]=4 440 B11R0.154 CCC(C)CC(=O)NCCCO WXVL_AK0073SB0353 [1,1,0,0,0,0|2,0,0]=4 441 B11R0.154 CCC(C)CC(=O)NCCCO WXVL_AK0073SB0353 [1,1,0,0,0,0|2,0,0]=4 442 B11R0.154 CCC(C)CC(=O)NCCSC WXVL_AK00440SB0353 [1,1,0,0,0,0|2,0,0]=4 443 B11R0.154 CCC(C)CC(=O)NCCSC WXVL_AK00440SB0353 [1,1,0,0,0,0|2,0,0]=4 444 B11R0.154 CCC(O)CC(=O)NCCCO WXVL_AK0073SB4092 [1,1,0,0,0,0|2,0,0]=4 445 B11R0.154 CCC(O)CC(=O)NCCCO WXVL_AK0073SB4092 [1,1,0,0,0,0|2,0,0]=4 446 B11R0.154 CCC(O)CC(=O)NCCSC WXVL_AK00440SB4092 [1,1,0,0,0,0|2,0,0]=4 447 B11R0.154 CCC(O)CC(=O)NCCSC WXVL_AK00440SB4092 [1,1,0,0,0,0|2,0,0]=4 448 B11R0.154 CCCCNC(=O)CC(C)CC WXVL_AK00588SB0353 [1,1,0,0,0,0|1,0,0]=3 449 B11R0.154 CCCCNC(=O)CC(C)CC WXVL_AK00588SB0353 [1,1,0,0,0,0|1,0,0]=3 450 B11R0.154 CCCCNC(=O)CC(O)CC WXVL_AK00588SB4092 [1,1,0,0,0,0|1,0,0]=3 451 B11R0.154 CCCCNC(=O)CC(O)CC WXVL_AK00588SB4092 [1,1,0,0,0,0|1,0,0]=3 452 B11R0.154 CCCCNC(=O)C[C@H](C)CC WXVL_AK00588SB8650 [1,1,0,0,0,0|1,0,0]=3 453 B11R0.154 CCCCNC(=O)C[C@H](C)CC WXVL_AK00588SB8650 [1,1,0,0,0,0|1,0,0]=3 454 B11R0.154 CC[C@@H](C)CC(=O)NCCCO WXVL_AK0073SB8650 [1,1,0,0,0,0|2,0,0]=4 455 B11R0.154 CC[C@@H](C)CC(=O)NCCCO WXVL_AK0073SB8650 [1,1,0,0,0,0|2,0,0]=4 456 B11R0.154 CC[C@@H](C)CC(=O)NCCSC WXVL_AK00440SB8650 [1,1,0,0,0,0|2,0,0]=4 457 B11R0.154 CC[C@@H](C)CC(=O)NCCSC WXVL_AK00440SB8650 [1,1,0,0,0,0|2,0,0]=4 458 B11R0.154 CC[C@H](C)NC(=O)CCCCBr WXVL_AK00678SB3153 [1,1,0,0,0,0|2,0,0]=4 459 B11R0.154 CC[C@H](C)NC(=O)CCCCBr WXVL_AK00678SB3153 [1,1,0,0,0,0|2,0,0]=4 460 B11R0.154 CC[C@H](C)NC(=O)CCCCCl WXVL_AK00678SB0379 [1,1,0,0,0,0|2,0,0]=4 461 B11R0.154 CC[C@H](C)NC(=O)CCCCCl WXVL_AK00678SB0379 [1,1,0,0,0,0|2,0,0]=4 462 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [1,1,0,0,0,0|2,0,0]=4 463 B11R0.155 CCCC(C)C(=O)NCCCO WXVL_AK0073SB0352 [1,1,0,0,0,0|2,0,0]=4 464 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [1,1,0,0,0,0|2,0,0]=4 465 B11R0.155 CCCC(C)C(=O)NCCSC WXVL_AK00440SB0352 [1,1,0,0,0,0|2,0,0]=4 466 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [1,1,0,0,0,0|1,0,0]=3 467 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [1,1,0,0,0,0|1,0,0]=3 468 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [1,1,0,0,0,0|1,0,0]=3 469 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [1,1,0,0,0,0|1,0,0]=3 470 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [1,1,0,0,0,0|2,0,0]=4 471 B11R0.155 CCC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3627 [1,1,0,0,0,0|2,0,0]=4 472 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [1,1,0,0,0,0|2,0,0]=4 473 B11R0.155 CCC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3627 [1,1,0,0,0,0|2,0,0]=4 474 B11R0.321 CCCCNS(=O)(=O)CCCC WXVL_AK00588HU0031 [1,1,0,0,0,0|2,0,0]=4 475 B11R0.321 CCCCNS(=O)(=O)CCCC WXVL_AK00588HU0031 [1,1,0,0,0,0|2,0,0]=4 476 B13R0.1 C#CCCCNC(=O)CCCC(C)C WXVL_AK00218SB1301 [0,2,0,0,0,0|1,0,1]=4 477 B13R0.1 C#CCCCNC(=O)CCCC(C)C WXVL_AK00218SB1301 [0,2,0,0,0,0|1,0,1]=4 478 B13R0.1 CC(C)CCCC(=O)NCCCCO WXVL_AK0075SB1301 [0,2,0,0,0,0|1,0,0]=3 479 B13R0.1 CC(C)CCCC(=O)NCCCCO WXVL_AK0075SB1301 [0,2,0,0,0,0|1,0,0]=3 480 B13R0.1 CC(C)CCNC(=O)CCCCCBr WXVL_AK0068SB2192 [0,2,0,0,0,0|1,0,0]=3 481 B13R0.1 CC(C)CCNC(=O)CCCCCBr WXVL_AK0068SB2192 [0,2,0,0,0,0|1,0,0]=3 482 B13R0.1 CC(C)CCNC(=O)CCCCCO WXVL_AK0068SB2973 [0,2,0,0,0,0|1,0,0]=3 483 B13R0.1 CC(C)CCNC(=O)CCCCCO WXVL_AK0068SB2973 [0,2,0,0,0,0|1,0,0]=3 484 B13R0.1 CCCCCNC(=O)CCCC(C)C WXVL_AK0076SB1301 [0,2,0,0,0,0|1,0,0]=3 485 B13R0.1 CCCCCNC(=O)CCCC(C)C WXVL_AK0076SB1301 [0,2,0,0,0,0|1,0,0]=3 486 B13R0.1 CCCCCNC(=O)CCCN(C)C WXVL_AK0076SB00055 [0,2,0,0,0,0|2,0,0]=4 487 B13R0.1 CCCCCNC(=O)CCCN(C)C WXVL_AK0076SB00055 [0,2,0,0,0,0|2,0,0]=4 488 B13R0.1 CCSCCNC(=O)CCCC(C)C WXVL_AK00494SB1301 [0,2,0,0,0,0|1,0,0]=3 489 B13R0.1 CCSCCNC(=O)CCCC(C)C WXVL_AK00494SB1301 [0,2,0,0,0,0|1,0,0]=3 490 B13R0.1 CCSCCNC(=O)CCCN(C)C WXVL_AK00494SB00055 [0,2,0,0,0,0|2,0,0]=4 491 B13R0.1 CCSCCNC(=O)CCCN(C)C WXVL_AK00494SB00055 [0,2,0,0,0,0|2,0,0]=4 492 B13R0.1 CN(C)CCCC(=O)NCCCCO WXVL_AK0075SB00055 [0,2,0,0,0,0|2,0,0]=4 493 B13R0.1 CN(C)CCCC(=O)NCCCCO WXVL_AK0075SB00055 [0,2,0,0,0,0|2,0,0]=4 494 B13R0.1 CN(C)CCNC(=O)CCCCCBr WXVL_AK0058SB2192 [0,2,0,0,0,0|2,0,0]=4 495 B13R0.1 CN(C)CCNC(=O)CCCCCBr WXVL_AK0058SB2192 [0,2,0,0,0,0|2,0,0]=4 496 B13R0.1 CN(C)CCNC(=O)CCCCCO WXVL_AK0058SB2973 [0,2,0,0,0,0|2,0,0]=4 497 B13R0.1 CN(C)CCNC(=O)CCCCCO WXVL_AK0058SB2973 [0,2,0,0,0,0|2,0,0]=4 498 B13R0.1 COCCCNC(=O)CCCC(C)C WXVL_AK00637SB1301 [0,2,0,0,0,0|1,0,0]=3 499 B13R0.1 COCCCNC(=O)CCCC(C)C WXVL_AK00637SB1301 [0,2,0,0,0,0|1,0,0]=3 500 B13R0.1 COCCCNC(=O)CCCN(C)C WXVL_AK00637SB00055 [0,2,0,0,0,0|2,0,0]=4 501 B13R0.1 COCCCNC(=O)CCCN(C)C WXVL_AK00637SB00055 [0,2,0,0,0,0|2,0,0]=4 502 B13R0.1 COCCOCC(=O)NCCC(C)C WXVL_AK0068SB0159 [0,2,0,0,0,0|2,0,0]=4 503 B13R0.1 COCCOCC(=O)NCCC(C)C WXVL_AK0068SB0159 [0,2,0,0,0,0|2,0,0]=4 504 B13R0.1 CSCCCNC(=O)CCCC(C)C WXVL_AK0965SB1301 [0,2,0,0,0,0|1,0,0]=3 505 B13R0.1 CSCCCNC(=O)CCCC(C)C WXVL_AK0965SB1301 [0,2,0,0,0,0|1,0,0]=3 506 B13R0.1 CSCCCNC(=O)CCCN(C)C WXVL_AK0965SB00055 [0,2,0,0,0,0|2,0,0]=4 507 B13R0.1 CSCCCNC(=O)CCCN(C)C WXVL_AK0965SB00055 [0,2,0,0,0,0|2,0,0]=4 508 B13R0.165 C#CCCCNC(=O)CCCCCBr WXVL_AK00218SB2192 [0,2,0,0,0,0|1,0,1]=4 509 B13R0.165 C#CCCCNC(=O)CCCCCBr WXVL_AK00218SB2192 [0,2,0,0,0,0|1,0,1]=4 510 B13R0.165 C#CCCCNC(=O)CCCCCO WXVL_AK00218SB2973 [0,2,0,0,0,0|1,0,1]=4 511 B13R0.165 C#CCCCNC(=O)CCCCCO WXVL_AK00218SB2973 [0,2,0,0,0,0|1,0,1]=4 512 B13R0.165 CCCCCNC(=O)CCCCCBr WXVL_AK0076SB2192 [0,2,0,0,0,0|1,0,0]=3 513 B13R0.165 CCCCCNC(=O)CCCCCBr WXVL_AK0076SB2192 [0,2,0,0,0,0|1,0,0]=3 514 B13R0.165 CCCCCNC(=O)CCCCCO WXVL_AK0076SB2973 [0,2,0,0,0,0|1,0,0]=3 515 B13R0.165 CCCCCNC(=O)CCCCCO WXVL_AK0076SB2973 [0,2,0,0,0,0|1,0,0]=3 516 B13R0.165 CCCCCNC(=O)COCCOC WXVL_AK0076SB0159 [0,2,0,0,0,0|1,0,0]=3 517 B13R0.165 CCCCCNC(=O)COCCOC WXVL_AK0076SB0159 [0,2,0,0,0,0|1,0,0]=3 518 B13R0.165 CCSCCNC(=O)CCCCCBr WXVL_AK00494SB2192 [0,2,0,0,0,0|1,0,0]=3 519 B13R0.165 CCSCCNC(=O)CCCCCBr WXVL_AK00494SB2192 [0,2,0,0,0,0|1,0,0]=3 520 B13R0.165 CCSCCNC(=O)CCCCCO WXVL_AK00494SB2973 [0,2,0,0,0,0|1,0,0]=3 521 B13R0.165 CCSCCNC(=O)CCCCCO WXVL_AK00494SB2973 [0,2,0,0,0,0|1,0,0]=3 522 B13R0.165 CCSCCNC(=O)COCCOC WXVL_AK00494SB0159 [0,2,0,0,0,0|2,0,0]=4 523 B13R0.165 CCSCCNC(=O)COCCOC WXVL_AK00494SB0159 [0,2,0,0,0,0|2,0,0]=4 524 B13R0.165 COCCCNC(=O)CCCCCBr WXVL_AK00637SB2192 [0,2,0,0,0,0|1,0,0]=3 525 B13R0.165 COCCCNC(=O)CCCCCBr WXVL_AK00637SB2192 [0,2,0,0,0,0|1,0,0]=3 526 B13R0.165 COCCCNC(=O)CCCCCO WXVL_AK00637SB2973 [0,2,0,0,0,0|1,0,0]=3 527 B13R0.165 COCCCNC(=O)CCCCCO WXVL_AK00637SB2973 [0,2,0,0,0,0|1,0,0]=3 528 B13R0.165 COCCCNC(=O)COCCOC WXVL_AK00637SB0159 [0,2,0,0,0,0|2,0,0]=4 529 B13R0.165 COCCCNC(=O)COCCOC WXVL_AK00637SB0159 [0,2,0,0,0,0|2,0,0]=4 530 B13R0.165 COCCOCC(=O)NCCCCO WXVL_AK0075SB0159 [0,2,0,0,0,0|2,0,0]=4 531 B13R0.165 COCCOCC(=O)NCCCCO WXVL_AK0075SB0159 [0,2,0,0,0,0|2,0,0]=4 532 B13R0.165 COCCOCC(=O)NCCCSC WXVL_AK0965SB0159 [0,2,0,0,0,0|2,0,0]=4 533 B13R0.165 COCCOCC(=O)NCCCSC WXVL_AK0965SB0159 [0,2,0,0,0,0|2,0,0]=4 534 B13R0.165 CSCCCNC(=O)CCCCCBr WXVL_AK0965SB2192 [0,2,0,0,0,0|1,0,0]=3 535 B13R0.165 CSCCCNC(=O)CCCCCBr WXVL_AK0965SB2192 [0,2,0,0,0,0|1,0,0]=3 536 B13R0.165 CSCCCNC(=O)CCCCCO WXVL_AK0965SB2973 [0,2,0,0,0,0|1,0,0]=3 537 B13R0.165 CSCCCNC(=O)CCCCCO WXVL_AK0965SB2973 [0,2,0,0,0,0|1,0,0]=3 538 B13R0.165 O=C(CCCCCBr)NCCCCO WXVL_AK0075SB2192 [0,2,0,0,0,0|1,0,0]=3 539 B13R0.165 O=C(CCCCCBr)NCCCCO WXVL_AK0075SB2192 [0,2,0,0,0,0|1,0,0]=3 540 B13R0.165 O=C(CCCCCO)NCCCCO WXVL_AK0075SB2973 [0,2,0,0,0,0|1,0,0]=3 541 B13R0.165 O=C(CCCCCO)NCCCCO WXVL_AK0075SB2973 [0,2,0,0,0,0|1,0,0]=3 542 B13R0.188 CC(C)OCCNC(=O)CCCCBr WXVL_AK0128SB3153 [0,2,0,0,0,0|2,0,0]=4 543 B13R0.188 CC(C)OCCNC(=O)CCCCBr WXVL_AK0128SB3153 [0,2,0,0,0,0|2,0,0]=4 544 B13R0.188 CC(C)OCCNC(=O)CCCCCl WXVL_AK0128SB0379 [0,2,0,0,0,0|2,0,0]=4 545 B13R0.188 CC(C)OCCNC(=O)CCCCCl WXVL_AK0128SB0379 [0,2,0,0,0,0|2,0,0]=4 546 B13R0.194 CC(CO)CCNC(=O)CCCCBr WXVL_AK4143SB3153 [0,2,0,0,0,0|2,0,0]=4 547 B13R0.194 CC(CO)CCNC(=O)CCCCBr WXVL_AK4143SB3153 [0,2,0,0,0,0|2,0,0]=4 548 B13R0.194 CC(CO)CCNC(=O)CCCCCl WXVL_AK4143SB0379 [0,2,0,0,0,0|2,0,0]=4 549 B13R0.194 CC(CO)CCNC(=O)CCCCCl WXVL_AK4143SB0379 [0,2,0,0,0,0|2,0,0]=4 550 B13R0.330 CC(CCO)NC(=O)CCCCCBr WXVL_AK1288SB2192 [0,2,0,0,0,0|2,0,0]=4 551 B13R0.330 CC(CCO)NC(=O)CCCCCBr WXVL_AK1288SB2192 [0,2,0,0,0,0|2,0,0]=4 552 B13R0.330 CC(CCO)NC(=O)CCCCCO WXVL_AK1288SB2973 [0,2,0,0,0,0|2,0,0]=4 553 B13R0.330 CC(CCO)NC(=O)CCCCCO WXVL_AK1288SB2973 [0,2,0,0,0,0|2,0,0]=4 554 B13R0.330 CCC[C@H](C)NC(=O)CCCCCBr WXVL_AK00682SB2192 [0,2,0,0,0,0|1,0,0]=3 555 B13R0.330 CCC[C@H](C)NC(=O)CCCCCBr WXVL_AK00682SB2192 [0,2,0,0,0,0|1,0,0]=3 556 B13R0.330 CCC[C@H](C)NC(=O)CCCCCO WXVL_AK00682SB2973 [0,2,0,0,0,0|1,0,0]=3 557 B13R0.330 CCC[C@H](C)NC(=O)CCCCCO WXVL_AK00682SB2973 [0,2,0,0,0,0|1,0,0]=3 558 B13R0.330 CCC[C@H](C)NC(=O)COCCOC WXVL_AK00682SB0159 [0,2,0,0,0,0|2,0,0]=4 559 B13R0.330 CCC[C@H](C)NC(=O)COCCOC WXVL_AK00682SB0159 [0,2,0,0,0,0|2,0,0]=4 560 B13R0.330 COC[C@@H](C)NC(=O)CCCCCBr WXVL_AK00613SB2192 [0,2,0,0,0,0|2,0,0]=4 561 B13R0.330 COC[C@@H](C)NC(=O)CCCCCBr WXVL_AK00613SB2192 [0,2,0,0,0,0|2,0,0]=4 562 B13R0.330 COC[C@@H](C)NC(=O)CCCCCO WXVL_AK00613SB2973 [0,2,0,0,0,0|2,0,0]=4 563 B13R0.330 COC[C@@H](C)NC(=O)CCCCCO WXVL_AK00613SB2973 [0,2,0,0,0,0|2,0,0]=4 564 B13R0.330 COC[C@H](C)NC(=O)CCCCCBr WXVL_AK0137SB2192 [0,2,0,0,0,0|2,0,0]=4 565 B13R0.330 COC[C@H](C)NC(=O)CCCCCBr WXVL_AK0137SB2192 [0,2,0,0,0,0|2,0,0]=4 566 B13R0.330 COC[C@H](C)NC(=O)CCCCCO WXVL_AK0137SB2973 [0,2,0,0,0,0|2,0,0]=4 567 B13R0.330 COC[C@H](C)NC(=O)CCCCCO WXVL_AK0137SB2973 [0,2,0,0,0,0|2,0,0]=4 568 B13R0.338 C#CCCCCNC(=O)CCCCBr WXVL_AK00614SB3153 [0,2,0,0,0,0|2,0,0]=4 569 B13R0.338 C#CCCCCNC(=O)CCCCBr WXVL_AK00614SB3153 [0,2,0,0,0,0|2,0,0]=4 570 B13R0.338 C#CCCCCNC(=O)CCCCCl WXVL_AK00614SB0379 [0,2,0,0,0,0|2,0,0]=4 571 B13R0.338 C#CCCCCNC(=O)CCCCCl WXVL_AK00614SB0379 [0,2,0,0,0,0|2,0,0]=4 572 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,2,0,0,0,0|1,0,0]=3 573 B13R0.338 CCCCC/C=C/C(=O)NCCCC WXVL_AK00588SB3331 [0,2,0,0,0,0|1,0,0]=3 574 B13R0.338 CCCCC/C=C/C(=O)NCCCO WXVL_AK0073SB3331 [0,2,0,0,0,0|2,0,0]=4 575 B13R0.338 CCCCC/C=C/C(=O)NCCCO WXVL_AK0073SB3331 [0,2,0,0,0,0|2,0,0]=4 576 B13R0.338 CCCCC/C=C/C(=O)NCCSC WXVL_AK00440SB3331 [0,2,0,0,0,0|2,0,0]=4 577 B13R0.338 CCCCC/C=C/C(=O)NCCSC WXVL_AK00440SB3331 [0,2,0,0,0,0|2,0,0]=4 578 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,2,0,0,0,0|1,0,0]=3 579 B13R0.338 CCCCCCCC(=O)NCCCC WXVL_AK00588SB0393 [0,2,0,0,0,0|1,0,0]=3 580 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,2,0,0,0,0|2,0,0]=4 581 B13R0.338 CCCCCCCC(=O)NCCCO WXVL_AK0073SB0393 [0,2,0,0,0,0|2,0,0]=4 582 B13R0.338 CCCCCCCC(=O)NCCSC WXVL_AK00440SB0393 [0,2,0,0,0,0|2,0,0]=4 583 B13R0.338 CCCCCCCC(=O)NCCSC WXVL_AK00440SB0393 [0,2,0,0,0,0|2,0,0]=4 584 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,2,0,0,0,0|2,0,0]=4 585 B13R0.338 CCCCCCNC(=O)CCCCBr WXVL_AK0286SB3153 [0,2,0,0,0,0|2,0,0]=4 586 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,2,0,0,0,0|2,0,0]=4 587 B13R0.338 CCCCCCNC(=O)CCCCCl WXVL_AK0286SB0379 [0,2,0,0,0,0|2,0,0]=4 588 B13R0.338 CCCCCCNC(=O)NCCCCl WXVL_AK0286YV0130 [0,2,0,0,0,0|2,0,0]=4 589 B13R0.338 CCCCCCNC(=O)NCCCCl WXVL_AK0286YV0130 [0,2,0,0,0,0|2,0,0]=4 590 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,2,0,0,0,0|1,0,0]=3 591 B13R0.338 CCCCNC(=O)CCCCCCBr WXVL_AK00588SB1386 [0,2,0,0,0,0|1,0,0]=3 592 B13R0.338 CCOCCCNC(=O)CCCCBr WXVL_AK0072SB3153 [0,2,0,0,0,0|2,0,0]=4 593 B13R0.338 CCOCCCNC(=O)CCCCBr WXVL_AK0072SB3153 [0,2,0,0,0,0|2,0,0]=4 594 B13R0.338 CCOCCCNC(=O)CCCCCl WXVL_AK0072SB0379 [0,2,0,0,0,0|2,0,0]=4 595 B13R0.338 CCOCCCNC(=O)CCCCCl WXVL_AK0072SB0379 [0,2,0,0,0,0|2,0,0]=4 596 B13R0.338 CCOCCCNC(=O)NCCCCl WXVL_AK0072YV0130 [0,2,0,0,0,0|2,0,0]=4 597 B13R0.338 CCOCCCNC(=O)NCCCCl WXVL_AK0072YV0130 [0,2,0,0,0,0|2,0,0]=4 598 B13R0.338 CSCCNC(=O)CCCCCCBr WXVL_AK00440SB1386 [0,2,0,0,0,0|2,0,0]=4 599 B13R0.338 CSCCNC(=O)CCCCCCBr WXVL_AK00440SB1386 [0,2,0,0,0,0|2,0,0]=4 600 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,2,0,0,0,0|2,0,0]=4 601 B13R0.338 O=C(CCCCBr)NCCCCCO WXVL_AK0077SB3153 [0,2,0,0,0,0|2,0,0]=4 602 B13R0.338 O=C(CCCCBr)NCCNCCO WXVL_AK0954SB3153 [0,2,0,0,0,0|2,0,0]=4 603 B13R0.338 O=C(CCCCBr)NCCNCCO WXVL_AK0954SB3153 [0,2,0,0,0,0|2,0,0]=4 604 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,2,0,0,0,0|2,0,0]=4 605 B13R0.338 O=C(CCCCCCBr)NCCCO WXVL_AK0073SB1386 [0,2,0,0,0,0|2,0,0]=4 606 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,2,0,0,0,0|2,0,0]=4 607 B13R0.338 O=C(CCCCCl)NCCCCCO WXVL_AK0077SB0379 [0,2,0,0,0,0|2,0,0]=4 608 B13R0.338 O=C(CCCCCl)NCCNCCO WXVL_AK0954SB0379 [0,2,0,0,0,0|2,0,0]=4 609 B13R0.338 O=C(CCCCCl)NCCNCCO WXVL_AK0954SB0379 [0,2,0,0,0,0|2,0,0]=4 610 B13R0.338 O=C(NCCCCl)NCCCCCO WXVL_AK0077YV0130 [0,2,0,0,0,0|2,0,0]=4 611 B13R0.338 O=C(NCCCCl)NCCCCCO WXVL_AK0077YV0130 [0,2,0,0,0,0|2,0,0]=4 612 B13R0.398 CCCCCC(C)C(=O)NCCCC WXVL_AK00588SB0394 [0,2,0,0,0,0|1,0,0]=3 613 B13R0.398 CCCCCC(C)C(=O)NCCCC WXVL_AK00588SB0394 [0,2,0,0,0,0|1,0,0]=3 614 B13R0.398 CCCCCC(C)C(=O)NCCCO WXVL_AK0073SB0394 [0,2,0,0,0,0|2,0,0]=4 615 B13R0.398 CCCCCC(C)C(=O)NCCCO WXVL_AK0073SB0394 [0,2,0,0,0,0|2,0,0]=4 616 B13R0.398 CCCCCC(C)C(=O)NCCSC WXVL_AK00440SB0394 [0,2,0,0,0,0|2,0,0]=4 617 B13R0.398 CCCCCC(C)C(=O)NCCSC WXVL_AK00440SB0394 [0,2,0,0,0,0|2,0,0]=4 618 B13R0.1170 CO[C@H](C)CNC(=O)CCCCCBr WXVL_AK00704SB2192 [0,2,0,0,0,0|2,0,0]=4 619 B13R0.1170 CO[C@H](C)CNC(=O)CCCCCBr WXVL_AK00704SB2192 [0,2,0,0,0,0|2,0,0]=4 620 B13R0.1170 CO[C@H](C)CNC(=O)CCCCCO WXVL_AK00704SB2973 [0,2,0,0,0,0|2,0,0]=4 621 B13R0.1170 CO[C@H](C)CNC(=O)CCCCCO WXVL_AK00704SB2973 [0,2,0,0,0,0|2,0,0]=4 622 B13R0.1170 O=C(CCCCCBr)NC[C@@H](F)CO WXVL_AK00590SB2192 [0,2,0,0,0,0|2,0,0]=4 623 B13R0.1170 O=C(CCCCCBr)NC[C@@H](F)CO WXVL_AK00590SB2192 [0,2,0,0,0,0|2,0,0]=4 624 B13R0.1170 O=C(CCCCCBr)NC[C@H](O)CO WXVL_AK00483SB2192 [0,2,0,0,0,0|2,0,0]=4 625 B13R0.1170 O=C(CCCCCBr)NC[C@H](O)CO WXVL_AK00483SB2192 [0,2,0,0,0,0|2,0,0]=4 626 B13R0.1170 O=C(CCCCCO)NC[C@@H](F)CO WXVL_AK00590SB2973 [0,2,0,0,0,0|2,0,0]=4 627 B13R0.1170 O=C(CCCCCO)NC[C@@H](F)CO WXVL_AK00590SB2973 [0,2,0,0,0,0|2,0,0]=4 628 B13R0.1170 O=C(CCCCCO)NC[C@H](O)CO WXVL_AK00483SB2973 [0,2,0,0,0,0|2,0,0]=4 629 B13R0.1170 O=C(CCCCCO)NC[C@H](O)CO WXVL_AK00483SB2973 [0,2,0,0,0,0|2,0,0]=4 630 B13R0.1171 C#CCCCNC(=O)C(O)CCCC WXVL_AK00218SB3429 [0,2,0,0,0,0|1,0,1]=4 631 B13R0.1171 C#CCCCNC(=O)C(O)CCCC WXVL_AK00218SB3429 [0,2,0,0,0,0|1,0,1]=4 632 B13R0.1171 CCCCC(O)C(=O)NCCCCO WXVL_AK0075SB3429 [0,2,0,0,0,0|1,0,0]=3 633 B13R0.1171 CCCCC(O)C(=O)NCCCCO WXVL_AK0075SB3429 [0,2,0,0,0,0|1,0,0]=3 634 B13R0.1171 CCCCC(O)C(=O)NCCCOC WXVL_AK00637SB3429 [0,2,0,0,0,0|1,0,0]=3 635 B13R0.1171 CCCCC(O)C(=O)NCCCOC WXVL_AK00637SB3429 [0,2,0,0,0,0|1,0,0]=3 636 B13R0.1171 CCCCC(O)C(=O)NCCCSC WXVL_AK0965SB3429 [0,2,0,0,0,0|1,0,0]=3 637 B13R0.1171 CCCCC(O)C(=O)NCCCSC WXVL_AK0965SB3429 [0,2,0,0,0,0|1,0,0]=3 638 B13R0.1171 CCCCC(O)C(=O)NCCSCC WXVL_AK00494SB3429 [0,2,0,0,0,0|1,0,0]=3 639 B13R0.1171 CCCCC(O)C(=O)NCCSCC WXVL_AK00494SB3429 [0,2,0,0,0,0|1,0,0]=3 640 B13R0.1171 CCCCCNC(=O)C(O)CCCC WXVL_AK0076SB3429 [0,2,0,0,0,0|1,0,0]=3 641 B13R0.1171 CCCCCNC(=O)C(O)CCCC WXVL_AK0076SB3429 [0,2,0,0,0,0|1,0,0]=3 642 B13R0.1171 COCCN(C)C(=O)CCCCCBr WXVL_AN0085SB2192 [0,2,0,0,0,0|2,0,0]=4 643 B13R0.1171 COCCN(C)C(=O)CCCCCBr WXVL_AN0085SB2192 [0,2,0,0,0,0|2,0,0]=4 644 B13R0.1171 COCCN(C)C(=O)CCCCCO WXVL_AN0085SB2973 [0,2,0,0,0,0|2,0,0]=4 645 B13R0.1171 COCCN(C)C(=O)CCCCCO WXVL_AN0085SB2973 [0,2,0,0,0,0|2,0,0]=4 646 B13R0.40 CCCCC(O)C(=O)NC[C@@H](C)OC WXVL_AK00704SB3429 [0,2,0,0,0,0|2,0,0]=4 647 B13R0.40 CCCCC(O)C(=O)NC[C@@H](C)OC WXVL_AK00704SB3429 [0,2,0,0,0,0|2,0,0]=4 648 B13R0.40 CCCCC(O)C(=O)NC[C@@H](F)CO WXVL_AK00590SB3429 [0,2,0,0,0,0|2,0,0]=4 649 B13R0.40 CCCCC(O)C(=O)NC[C@@H](F)CO WXVL_AK00590SB3429 [0,2,0,0,0,0|2,0,0]=4 650 B13R0.40 CCCCC(O)C(=O)NC[C@H](O)CO WXVL_AK00483SB3429 [0,2,0,0,0,0|2,0,0]=4 651 B13R0.40 CCCCC(O)C(=O)NC[C@H](O)CO WXVL_AK00483SB3429 [0,2,0,0,0,0|2,0,0]=4 652 B13R0.151 CCCCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1571SB0064 [0,2,0,0,0,0|1,0,1]=4 653 B13R0.151 CCCCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1571SB0064 [0,2,0,0,0,0|1,0,1]=4 654 B13R0.493 CC(C)CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB1301 [0,2,0,0,0,0|2,0,0]=4 655 B13R0.493 CC(C)CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB1301 [0,2,0,0,0,0|2,0,0]=4 656 B13R0.493 CC(C)CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB1301 [0,2,0,0,0,0|2,0,0]=4 657 B13R0.493 CC(C)CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB1301 [0,2,0,0,0,0|2,0,0]=4 658 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)C WXVL_AK00704SB1301 [0,2,0,0,0,0|2,0,0]=4 659 B13R0.493 CO[C@H](C)CNC(=O)CCCC(C)C WXVL_AK00704SB1301 [0,2,0,0,0,0|2,0,0]=4 660 B13R0.196 CC(C)(O)CCNC(=O)CCCCBr WXVL_AK1558SB3153 [0,2,0,0,0,0|2,0,0]=4 661 B13R0.196 CC(C)(O)CCNC(=O)CCCCBr WXVL_AK1558SB3153 [0,2,0,0,0,0|2,0,0]=4 662 B13R0.196 CC(C)(O)CCNC(=O)CCCCCl WXVL_AK1558SB0379 [0,2,0,0,0,0|2,0,0]=4 663 B13R0.196 CC(C)(O)CCNC(=O)CCCCCl WXVL_AK1558SB0379 [0,2,0,0,0,0|2,0,0]=4 664 B13R0.196 CCCCNC(=O)CCCC(F)(F)F WXVL_AK00588SB1398 [0,2,0,0,0,0|2,0,0]=4 665 B13R0.196 CCCCNC(=O)CCCC(F)(F)F WXVL_AK00588SB1398 [0,2,0,0,0,0|2,0,0]=4 666 B13R0.331 CC(C)CCCC(=O)NC(C)CCO WXVL_AK1288SB1301 [0,2,0,0,0,0|2,0,0]=4 667 B13R0.331 CC(C)CCCC(=O)NC(C)CCO WXVL_AK1288SB1301 [0,2,0,0,0,0|2,0,0]=4 668 B13R0.331 CCC[C@H](C)NC(=O)CCCC(C)C WXVL_AK00682SB1301 [0,2,0,0,0,0|1,0,0]=3 669 B13R0.331 CCC[C@H](C)NC(=O)CCCC(C)C WXVL_AK00682SB1301 [0,2,0,0,0,0|1,0,0]=3 670 B13R0.331 CCC[C@H](C)NC(=O)CCCN(C)C WXVL_AK00682SB00055 [0,2,0,0,0,0|2,0,0]=4 671 B13R0.331 CCC[C@H](C)NC(=O)CCCN(C)C WXVL_AK00682SB00055 [0,2,0,0,0,0|2,0,0]=4 672 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)C WXVL_AK00613SB1301 [0,2,0,0,0,0|2,0,0]=4 673 B13R0.331 COC[C@@H](C)NC(=O)CCCC(C)C WXVL_AK00613SB1301 [0,2,0,0,0,0|2,0,0]=4 674 B13R0.331 COC[C@H](C)NC(=O)CCCC(C)C WXVL_AK0137SB1301 [0,2,0,0,0,0|2,0,0]=4 675 B13R0.331 COC[C@H](C)NC(=O)CCCC(C)C WXVL_AK0137SB1301 [0,2,0,0,0,0|2,0,0]=4 676 B13R0.345 CCCCC(O)C(=O)NCCC(C)C WXVL_AK0068SB3429 [0,2,0,0,0,0|1,0,0]=3 677 B13R0.345 CCCCC(O)C(=O)NCCC(C)C WXVL_AK0068SB3429 [0,2,0,0,0,0|1,0,0]=3 678 B13R0.345 CCCCC(O)C(=O)NCCN(C)C WXVL_AK0058SB3429 [0,2,0,0,0,0|2,0,0]=4 679 B13R0.345 CCCCC(O)C(=O)NCCN(C)C WXVL_AK0058SB3429 [0,2,0,0,0,0|2,0,0]=4 680 B13R0.345 COCCN(C)C(=O)CCCC(C)C WXVL_AN0085SB1301 [0,2,0,0,0,0|2,0,0]=4 681 B13R0.345 COCCN(C)C(=O)CCCC(C)C WXVL_AN0085SB1301 [0,2,0,0,0,0|2,0,0]=4 682 B13R0.1398 CC(C)CCCC(=O)NCCC(C)C WXVL_AK0068SB1301 [0,2,0,0,0,0|1,0,0]=3 683 B13R0.1398 CC(C)CCCC(=O)NCCC(C)C WXVL_AK0068SB1301 [0,2,0,0,0,0|1,0,0]=3 684 B13R0.1398 CC(C)CCCC(=O)NCCN(C)C WXVL_AK0058SB1301 [0,2,0,0,0,0|2,0,0]=4 685 B13R0.1398 CC(C)CCCC(=O)NCCN(C)C WXVL_AK0058SB1301 [0,2,0,0,0,0|2,0,0]=4 686 B13R0.1398 CC(C)CCNC(=O)CCCN(C)C WXVL_AK0068SB00055 [0,2,0,0,0,0|2,0,0]=4 687 B13R0.1398 CC(C)CCNC(=O)CCCN(C)C WXVL_AK0068SB00055 [0,2,0,0,0,0|2,0,0]=4 688 B13R0.39 CCCCC(O)C(=O)NC(C)CCO WXVL_AK1288SB3429 [0,2,0,0,0,0|2,0,0]=4 689 B13R0.39 CCCCC(O)C(=O)NC(C)CCO WXVL_AK1288SB3429 [0,2,0,0,0,0|2,0,0]=4 690 B13R0.39 CCCCC(O)C(=O)N[C@@H](C)CCC WXVL_AK00682SB3429 [0,2,0,0,0,0|1,0,0]=3 691 B13R0.39 CCCCC(O)C(=O)N[C@@H](C)CCC WXVL_AK00682SB3429 [0,2,0,0,0,0|1,0,0]=3 692 B13R0.39 CCCCC(O)C(=O)N[C@@H](C)COC WXVL_AK0137SB3429 [0,2,0,0,0,0|2,0,0]=4 693 B13R0.39 CCCCC(O)C(=O)N[C@@H](C)COC WXVL_AK0137SB3429 [0,2,0,0,0,0|2,0,0]=4 694 B13R0.39 CCCCC(O)C(=O)N[C@H](C)COC WXVL_AK00613SB3429 [0,2,0,0,0,0|2,0,0]=4 695 B13R0.39 CCCCC(O)C(=O)N[C@H](C)COC WXVL_AK00613SB3429 [0,2,0,0,0,0|2,0,0]=4 696 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCCBr WXVL_AK2551SB3153 [0,2,0,0,0,0|2,0,0]=4 697 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCCBr WXVL_AK2551SB3153 [0,2,0,0,0,0|2,0,0]=4 698 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCCCl WXVL_AK2551SB0379 [0,2,0,0,0,0|2,0,0]=4 699 B13R0.1289 CCC[C@@H](CO)NC(=O)CCCCCl WXVL_AK2551SB0379 [0,2,0,0,0,0|2,0,0]=4 700 B13R0.41 CCCCC(O)C(=O)N(C)CCOC WXVL_AN0085SB3429 [0,2,0,0,0,0|2,0,0]=4 701 B13R0.41 CCCCC(O)C(=O)N(C)CCOC WXVL_AN0085SB3429 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [1,0,0,1,0,0|1,0,0]=3 703 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [1,0,0,1,0,0|1,0,0]=3 704 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [1,0,0,1,0,0|2,0,0]=4 705 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [1,0,0,1,0,0|2,0,0]=4 706 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [1,0,0,1,0,0|2,0,0]=4 707 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [1,0,0,1,0,0|2,0,0]=4 708 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [1,0,0,1,0,0|2,0,0]=4 709 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [1,0,0,1,0,0|2,0,0]=4 710 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [1,0,0,1,0,0|2,0,0]=4 711 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [1,0,0,1,0,0|2,0,0]=4 712 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [1,0,0,1,0,0|2,0,0]=4 713 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [1,0,0,1,0,0|2,0,0]=4 714 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [1,0,0,1,0,0|2,0,0]=4 715 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [1,0,0,1,0,0|2,0,0]=4 716 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [1,0,0,1,0,0|2,0,0]=4 717 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [1,0,0,1,0,0|2,0,0]=4 718 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [1,0,0,1,0,0|2,0,0]=4 719 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [1,0,0,1,0,0|2,0,0]=4 720 B11R1.284 CCCNC(=O)CC1CCC1 WXVL_AK00504SB2207 [1,0,0,1,0,0|1,0,0]=3 721 B11R1.284 CCCNC(=O)CC1CCC1 WXVL_AK00504SB2207 [1,0,0,1,0,0|1,0,0]=3 722 B11R1.284 O=C(CC1CCC1)NCCF WXVL_AK00466SB2207 [1,0,0,1,0,0|2,0,0]=4 723 B11R1.284 O=C(CC1CCC1)NCCF WXVL_AK00466SB2207 [1,0,0,1,0,0|2,0,0]=4 724 B11R1.285 CCCNC(=O)CCC1CC1 WXVL_AK00504SB5360 [1,0,0,1,0,0|1,0,0]=3 725 B11R1.285 CCCNC(=O)CCC1CC1 WXVL_AK00504SB5360 [1,0,0,1,0,0|1,0,0]=3 726 B11R1.285 O=C(CCC1CC1)NCCF WXVL_AK00466SB5360 [1,0,0,1,0,0|2,0,0]=4 727 B11R1.285 O=C(CCC1CC1)NCCF WXVL_AK00466SB5360 [1,0,0,1,0,0|2,0,0]=4 728 B11R1.299 CCCCNC(=O)C1CCC1 WXVL_AK00588SB0042 [1,0,0,1,0,0|1,0,0]=3 729 B11R1.299 CCCCNC(=O)C1CCC1 WXVL_AK00588SB0042 [1,0,0,1,0,0|1,0,0]=3 730 B11R1.299 CSCCNC(=O)C1CCC1 WXVL_AK00440SB0042 [1,0,0,1,0,0|2,0,0]=4 731 B11R1.299 CSCCNC(=O)C1CCC1 WXVL_AK00440SB0042 [1,0,0,1,0,0|2,0,0]=4 732 B11R1.299 O=C(NCCCO)C1CCC1 WXVL_AK0073SB0042 [1,0,0,1,0,0|2,0,0]=4 733 B11R1.299 O=C(NCCCO)C1CCC1 WXVL_AK0073SB0042 [1,0,0,1,0,0|2,0,0]=4 734 B11R1.301 CCCCNC(=O)CC1CC1 WXVL_AK00588SB0155 [1,0,0,1,0,0|1,0,0]=3 735 B11R1.301 CCCCNC(=O)CC1CC1 WXVL_AK00588SB0155 [1,0,0,1,0,0|1,0,0]=3 736 B11R1.301 CSCCNC(=O)CC1CC1 WXVL_AK00440SB0155 [1,0,0,1,0,0|2,0,0]=4 737 B11R1.301 CSCCNC(=O)CC1CC1 WXVL_AK00440SB0155 [1,0,0,1,0,0|2,0,0]=4 738 B11R1.301 O=C(CC1CC1)NCCCO WXVL_AK0073SB0155 [1,0,0,1,0,0|2,0,0]=4 739 B11R1.301 O=C(CC1CC1)NCCCO WXVL_AK0073SB0155 [1,0,0,1,0,0|2,0,0]=4 740 B11R1.301 O=C(CCCCBr)NC1CC1 WXVL_AK0001SB3153 [1,0,0,1,0,0|2,0,0]=4 741 B11R1.301 O=C(CCCCBr)NC1CC1 WXVL_AK0001SB3153 [1,0,0,1,0,0|2,0,0]=4 742 B11R1.301 O=C(CCCCCl)NC1CC1 WXVL_AK0001SB0379 [1,0,0,1,0,0|2,0,0]=4 743 B11R1.301 O=C(CCCCCl)NC1CC1 WXVL_AK0001SB0379 [1,0,0,1,0,0|2,0,0]=4 744 B11R1.1034 CC1CC1C(=O)NCCCO WXVL_AK0073SB0041 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.1034 CC1CC1C(=O)NCCCO WXVL_AK0073SB0041 [1,0,0,1,0,0|2,0,0]=4 746 B11R1.1034 CCCCNC(=O)C1CC1C WXVL_AK00588SB0041 [1,0,0,1,0,0|1,0,0]=3 747 B11R1.1034 CCCCNC(=O)C1CC1C WXVL_AK00588SB0041 [1,0,0,1,0,0|1,0,0]=3 748 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00588SB1245 [1,0,0,1,0,0|2,0,0]=4 749 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00588SB1245 [1,0,0,1,0,0|2,0,0]=4 750 B11R1.1034 CCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00588SB00019 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.1034 CCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00588SB00019 [1,0,0,1,0,0|2,0,0]=4 752 B11R1.1034 CSCCNC(=O)C1CC1C WXVL_AK00440SB0041 [1,0,0,1,0,0|2,0,0]=4 753 B11R1.1034 CSCCNC(=O)C1CC1C WXVL_AK00440SB0041 [1,0,0,1,0,0|2,0,0]=4 754 B13R1.24 CCCCNC(=O)C1=CCCCO1 WXVL_AK00588SB4858 [0,1,0,1,0,0|1,0,1]=4 755 B13R1.24 CCCCNC(=O)C1=CCCCO1 WXVL_AK00588SB4858 [0,1,0,1,0,0|1,0,1]=4 756 B13R1.24 CCCCNC(=O)C1CC=CCC1 WXVL_AK00588SB3640 [0,1,0,1,0,0|1,0,1]=4 757 B13R1.24 CCCCNC(=O)C1CC=CCC1 WXVL_AK00588SB3640 [0,1,0,1,0,0|1,0,1]=4 758 B13R1.24 CCCCNC(=O)C1CCCCC1 WXVL_AK00588SB0047 [0,1,0,1,0,0|1,0,0]=3 759 B13R1.24 CCCCNC(=O)C1CCCCC1 WXVL_AK00588SB0047 [0,1,0,1,0,0|1,0,0]=3 760 B13R1.24 CCCCNC(=O)C1CCCCO1 WXVL_AK00588SB0206 [0,1,0,1,0,0|1,0,0]=3 761 B13R1.24 CCCCNC(=O)C1CCCCO1 WXVL_AK00588SB0206 [0,1,0,1,0,0|1,0,0]=3 762 B13R1.24 CCCCNC(=O)C1CCOCC1 WXVL_AK00588SB0149 [0,1,0,1,0,0|1,0,0]=3 763 B13R1.24 CCCCNC(=O)C1CCOCC1 WXVL_AK00588SB0149 [0,1,0,1,0,0|1,0,0]=3 764 B13R1.24 CCCCNC(=O)C1CCSCC1 WXVL_AK00588SB0752 [0,1,0,1,0,0|1,0,0]=3 765 B13R1.24 CCCCNC(=O)C1CCSCC1 WXVL_AK00588SB0752 [0,1,0,1,0,0|1,0,0]=3 766 B13R1.24 CCCCNC(=O)[C@H]1CCCCO1 WXVL_AK00588SB00044 [0,1,0,1,0,0|1,0,0]=3 767 B13R1.24 CCCCNC(=O)[C@H]1CCCCO1 WXVL_AK00588SB00044 [0,1,0,1,0,0|1,0,0]=3 768 B13R1.24 CSCCNC(=O)C1CCCCC1 WXVL_AK00440SB0047 [0,1,0,1,0,0|2,0,0]=4 769 B13R1.24 CSCCNC(=O)C1CCCCC1 WXVL_AK00440SB0047 [0,1,0,1,0,0|2,0,0]=4 770 B13R1.24 CSCCNC(=O)C1CCCCO1 WXVL_AK00440SB0206 [0,1,0,1,0,0|2,0,0]=4 771 B13R1.24 CSCCNC(=O)C1CCCCO1 WXVL_AK00440SB0206 [0,1,0,1,0,0|2,0,0]=4 772 B13R1.24 CSCCNC(=O)C1CCOCC1 WXVL_AK00440SB0149 [0,1,0,1,0,0|2,0,0]=4 773 B13R1.24 CSCCNC(=O)C1CCOCC1 WXVL_AK00440SB0149 [0,1,0,1,0,0|2,0,0]=4 774 B13R1.24 CSCCNC(=O)C1CCSCC1 WXVL_AK00440SB0752 [0,1,0,1,0,0|2,0,0]=4 775 B13R1.24 CSCCNC(=O)C1CCSCC1 WXVL_AK00440SB0752 [0,1,0,1,0,0|2,0,0]=4 776 B13R1.24 CSCCNC(=O)[C@H]1CCCCO1 WXVL_AK00440SB00044 [0,1,0,1,0,0|2,0,0]=4 777 B13R1.24 CSCCNC(=O)[C@H]1CCCCO1 WXVL_AK00440SB00044 [0,1,0,1,0,0|2,0,0]=4 778 B13R1.24 O=C(CCCCBr)N1CCOCC1 WXVL_AN00478SB3153 [0,1,0,1,0,0|2,0,0]=4 779 B13R1.24 O=C(CCCCBr)N1CCOCC1 WXVL_AN00478SB3153 [0,1,0,1,0,0|2,0,0]=4 780 B13R1.24 O=C(CCCCBr)N1CCSCC1 WXVL_AN0896SB3153 [0,1,0,1,0,0|2,0,0]=4 781 B13R1.24 O=C(CCCCCl)N1CCOCC1 WXVL_AN00478SB0379 [0,1,0,1,0,0|2,0,0]=4 782 B13R1.24 O=C(CCCCCl)N1CCOCC1 WXVL_AN00478SB0379 [0,1,0,1,0,0|2,0,0]=4 783 B13R1.24 O=C(CCCCCl)N1CCSCC1 WXVL_AN0896SB0379 [0,1,0,1,0,0|2,0,0]=4 784 B13R1.24 O=C(NCCCO)C1CCCCC1 WXVL_AK0073SB0047 [0,1,0,1,0,0|2,0,0]=4 785 B13R1.24 O=C(NCCCO)C1CCCCC1 WXVL_AK0073SB0047 [0,1,0,1,0,0|2,0,0]=4 786 B13R1.24 O=C(NCCCO)C1CCCCO1 WXVL_AK0073SB0206 [0,1,0,1,0,0|2,0,0]=4 787 B13R1.24 O=C(NCCCO)C1CCCCO1 WXVL_AK0073SB0206 [0,1,0,1,0,0|2,0,0]=4 788 B13R1.24 O=C(NCCCO)C1CCOCC1 WXVL_AK0073SB0149 [0,1,0,1,0,0|2,0,0]=4 789 B13R1.24 O=C(NCCCO)C1CCOCC1 WXVL_AK0073SB0149 [0,1,0,1,0,0|2,0,0]=4 790 B13R1.24 O=C(NCCCO)C1CCSCC1 WXVL_AK0073SB0752 [0,1,0,1,0,0|2,0,0]=4 791 B13R1.24 O=C(NCCCO)C1CCSCC1 WXVL_AK0073SB0752 [0,1,0,1,0,0|2,0,0]=4 792 B13R1.24 O=C(NCCCO)[C@H]1CCCCO1 WXVL_AK0073SB00044 [0,1,0,1,0,0|2,0,0]=4 793 B13R1.24 O=C(NCCCO)[C@H]1CCCCO1 WXVL_AK0073SB00044 [0,1,0,1,0,0|2,0,0]=4 794 B13R1.48 C#CCCCNC(=O)C1CCCC1 WXVL_AK00218SB0043 [0,1,0,1,0,0|1,0,1]=4 795 B13R1.48 C#CCCCNC(=O)C1CCCC1 WXVL_AK00218SB0043 [0,1,0,1,0,0|1,0,1]=4 796 B13R1.48 CCCCCNC(=O)C1CCCC1 WXVL_AK0076SB0043 [0,1,0,1,0,0|1,0,0]=3 797 B13R1.48 CCCCCNC(=O)C1CCCC1 WXVL_AK0076SB0043 [0,1,0,1,0,0|1,0,0]=3 798 B13R1.48 CCCCCNC(=O)C1CCCO1 WXVL_AK0076SB1033 [0,1,0,1,0,0|2,0,0]=4 799 B13R1.48 CCCCCNC(=O)C1CCCO1 WXVL_AK0076SB1033 [0,1,0,1,0,0|2,0,0]=4 800 B13R1.48 CCCCCNC(=O)C1CCCS1 WXVL_AK0076SB0022 [0,1,0,1,0,0|2,0,0]=4 801 B13R1.48 CCCCCNC(=O)C1CCCS1 WXVL_AK0076SB0022 [0,1,0,1,0,0|2,0,0]=4 802 B13R1.48 CCCCCNC(=O)[C@H]1CCCO1 WXVL_AK0076SB00043 [0,1,0,1,0,0|2,0,0]=4 803 B13R1.48 CCCCCNC(=O)[C@H]1CCCO1 WXVL_AK0076SB00043 [0,1,0,1,0,0|2,0,0]=4 804 B13R1.48 CCSCCNC(=O)C1CCCC1 WXVL_AK00494SB0043 [0,1,0,1,0,0|1,0,0]=3 805 B13R1.48 CCSCCNC(=O)C1CCCC1 WXVL_AK00494SB0043 [0,1,0,1,0,0|1,0,0]=3 806 B13R1.48 CCSCCNC(=O)C1CCCO1 WXVL_AK00494SB1033 [0,1,0,1,0,0|2,0,0]=4 807 B13R1.48 CCSCCNC(=O)C1CCCO1 WXVL_AK00494SB1033 [0,1,0,1,0,0|2,0,0]=4 808 B13R1.48 CCSCCNC(=O)C1CCCS1 WXVL_AK00494SB0022 [0,1,0,1,0,0|2,0,0]=4 809 B13R1.48 CCSCCNC(=O)C1CCCS1 WXVL_AK00494SB0022 [0,1,0,1,0,0|2,0,0]=4 810 B13R1.48 CCSCCNC(=O)[C@H]1CCCO1 WXVL_AK00494SB00043 [0,1,0,1,0,0|2,0,0]=4 811 B13R1.48 CCSCCNC(=O)[C@H]1CCCO1 WXVL_AK00494SB00043 [0,1,0,1,0,0|2,0,0]=4 812 B13R1.48 COCCCNC(=O)C1CCCC1 WXVL_AK00637SB0043 [0,1,0,1,0,0|1,0,0]=3 813 B13R1.48 COCCCNC(=O)C1CCCC1 WXVL_AK00637SB0043 [0,1,0,1,0,0|1,0,0]=3 814 B13R1.48 COCCCNC(=O)C1CCCO1 WXVL_AK00637SB1033 [0,1,0,1,0,0|2,0,0]=4 815 B13R1.48 COCCCNC(=O)C1CCCO1 WXVL_AK00637SB1033 [0,1,0,1,0,0|2,0,0]=4 816 B13R1.48 COCCCNC(=O)C1CCCS1 WXVL_AK00637SB0022 [0,1,0,1,0,0|2,0,0]=4 817 B13R1.48 COCCCNC(=O)C1CCCS1 WXVL_AK00637SB0022 [0,1,0,1,0,0|2,0,0]=4 818 B13R1.48 COCCCNC(=O)[C@H]1CCCO1 WXVL_AK00637SB00043 [0,1,0,1,0,0|2,0,0]=4 819 B13R1.48 COCCCNC(=O)[C@H]1CCCO1 WXVL_AK00637SB00043 [0,1,0,1,0,0|2,0,0]=4 820 B13R1.48 COCCOCC(=O)N1CCCC1 WXVL_AN0008SB0159 [0,1,0,1,0,0|2,0,0]=4 821 B13R1.48 COCCOCC(=O)N1CCCC1 WXVL_AN0008SB0159 [0,1,0,1,0,0|2,0,0]=4 822 B13R1.48 CSCCCNC(=O)C1CCCC1 WXVL_AK0965SB0043 [0,1,0,1,0,0|1,0,0]=3 823 B13R1.48 CSCCCNC(=O)C1CCCC1 WXVL_AK0965SB0043 [0,1,0,1,0,0|1,0,0]=3 824 B13R1.48 CSCCCNC(=O)C1CCCO1 WXVL_AK0965SB1033 [0,1,0,1,0,0|2,0,0]=4 825 B13R1.48 CSCCCNC(=O)C1CCCO1 WXVL_AK0965SB1033 [0,1,0,1,0,0|2,0,0]=4 826 B13R1.48 CSCCCNC(=O)C1CCCS1 WXVL_AK0965SB0022 [0,1,0,1,0,0|2,0,0]=4 827 B13R1.48 CSCCCNC(=O)C1CCCS1 WXVL_AK0965SB0022 [0,1,0,1,0,0|2,0,0]=4 828 B13R1.48 CSCCCNC(=O)[C@H]1CCCO1 WXVL_AK0965SB00043 [0,1,0,1,0,0|2,0,0]=4 829 B13R1.48 CSCCCNC(=O)[C@H]1CCCO1 WXVL_AK0965SB00043 [0,1,0,1,0,0|2,0,0]=4 830 B13R1.48 O=C(CCCCCBr)N1CCCC1 WXVL_AN0008SB2192 [0,1,0,1,0,0|1,0,0]=3 831 B13R1.48 O=C(CCCCCBr)N1CCCC1 WXVL_AN0008SB2192 [0,1,0,1,0,0|1,0,0]=3 832 B13R1.48 O=C(CCCCCO)N1CCCC1 WXVL_AN0008SB2973 [0,1,0,1,0,0|1,0,0]=3 833 B13R1.48 O=C(CCCCCO)N1CCCC1 WXVL_AN0008SB2973 [0,1,0,1,0,0|1,0,0]=3 834 B13R1.48 O=C(NCCCCO)C1CCCC1 WXVL_AK0075SB0043 [0,1,0,1,0,0|1,0,0]=3 835 B13R1.48 O=C(NCCCCO)C1CCCC1 WXVL_AK0075SB0043 [0,1,0,1,0,0|1,0,0]=3 836 B13R1.48 O=C(NCCCCO)C1CCCO1 WXVL_AK0075SB1033 [0,1,0,1,0,0|2,0,0]=4 837 B13R1.48 O=C(NCCCCO)C1CCCO1 WXVL_AK0075SB1033 [0,1,0,1,0,0|2,0,0]=4 838 B13R1.48 O=C(NCCCCO)C1CCCS1 WXVL_AK0075SB0022 [0,1,0,1,0,0|2,0,0]=4 839 B13R1.48 O=C(NCCCCO)C1CCCS1 WXVL_AK0075SB0022 [0,1,0,1,0,0|2,0,0]=4 840 B13R1.48 O=C(NCCCCO)[C@H]1CCCO1 WXVL_AK0075SB00043 [0,1,0,1,0,0|2,0,0]=4 841 B13R1.48 O=C(NCCCCO)[C@H]1CCCO1 WXVL_AK0075SB00043 [0,1,0,1,0,0|2,0,0]=4 842 B13R1.156 CCCCNC(=O)CC1CCCC1 WXVL_AK00588SB0044 [0,1,0,1,0,0|1,0,0]=3 843 B13R1.156 CCCCNC(=O)CC1CCCC1 WXVL_AK00588SB0044 [0,1,0,1,0,0|1,0,0]=3 844 B13R1.156 CCCCNC(=O)CN1CCCC1 WXVL_AK00588SB0201 [0,1,0,1,0,0|1,0,0]=3 845 B13R1.156 CCCCNC(=O)CN1CCCC1 WXVL_AK00588SB0201 [0,1,0,1,0,0|1,0,0]=3 846 B13R1.156 CSCCNC(=O)CC1CCCC1 WXVL_AK00440SB0044 [0,1,0,1,0,0|2,0,0]=4 847 B13R1.156 CSCCNC(=O)CC1CCCC1 WXVL_AK00440SB0044 [0,1,0,1,0,0|2,0,0]=4 848 B13R1.156 CSCCNC(=O)CN1CCCC1 WXVL_AK00440SB0201 [0,1,0,1,0,0|2,0,0]=4 849 B13R1.156 CSCCNC(=O)CN1CCCC1 WXVL_AK00440SB0201 [0,1,0,1,0,0|2,0,0]=4 850 B13R1.156 O=C(CC1CCCC1)NCCCO WXVL_AK0073SB0044 [0,1,0,1,0,0|2,0,0]=4 851 B13R1.156 O=C(CC1CCCC1)NCCCO WXVL_AK0073SB0044 [0,1,0,1,0,0|2,0,0]=4 852 B13R1.156 O=C(CN1CCCC1)NCCCO WXVL_AK0073SB0201 [0,1,0,1,0,0|2,0,0]=4 853 B13R1.156 O=C(CN1CCCC1)NCCCO WXVL_AK0073SB0201 [0,1,0,1,0,0|2,0,0]=4 854 B13R1.725 CC1CCCC1C(=O)NCCCO WXVL_AK0073SB0904 [0,1,0,1,0,0|2,0,0]=4 855 B13R1.725 CC1CCCC1C(=O)NCCCO WXVL_AK0073SB0904 [0,1,0,1,0,0|2,0,0]=4 856 B13R1.725 CCCCNC(=O)C1CCCC1C WXVL_AK00588SB0904 [0,1,0,1,0,0|1,0,0]=3 857 B13R1.725 CCCCNC(=O)C1CCCC1C WXVL_AK00588SB0904 [0,1,0,1,0,0|1,0,0]=3 858 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C WXVL_AK00588SB1197 [0,1,0,1,0,0|1,0,0]=3 859 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C WXVL_AK00588SB1197 [0,1,0,1,0,0|1,0,0]=3 860 B13R1.725 CN1CCC[C@H]1C(=O)NCCCO WXVL_AK0073SB1197 [0,1,0,1,0,0|2,0,0]=4 861 B13R1.725 CN1CCC[C@H]1C(=O)NCCCO WXVL_AK0073SB1197 [0,1,0,1,0,0|2,0,0]=4 862 B13R1.725 CSCCNC(=O)C1CCCC1C WXVL_AK00440SB0904 [0,1,0,1,0,0|2,0,0]=4 863 B13R1.725 CSCCNC(=O)C1CCCC1C WXVL_AK00440SB0904 [0,1,0,1,0,0|2,0,0]=4 864 B13R1.725 CSCCNC(=O)[C@@H]1CCCN1C WXVL_AK00440SB1197 [0,1,0,1,0,0|2,0,0]=4 865 B13R1.725 CSCCNC(=O)[C@@H]1CCCN1C WXVL_AK00440SB1197 [0,1,0,1,0,0|2,0,0]=4 866 B13R1.725 C[C@@H]1CCCN1C(=O)CCCCBr WXVL_AN00593SB3153 [0,1,0,1,0,0|2,0,0]=4 867 B13R1.725 C[C@@H]1CCCN1C(=O)CCCCCl WXVL_AN00593SB0379 [0,1,0,1,0,0|2,0,0]=4 868 B13R1.725 C[C@@H]1CCCN1C(=O)NCCCCl WXVL_AN00593YV0130 [0,1,0,1,0,0|2,0,0]=4 869 B13R1.726 O=C(CCCCBr)N1CC[C@@H]1CO WXVL_AN00694SB3153 [0,1,0,1,0,0|2,0,0]=4 870 B13R1.726 O=C(CCCCBr)N1CC[C@H]1CO WXVL_AN3414SB3153 [0,1,0,1,0,0|2,0,0]=4 871 B13R1.726 O=C(CCCCBr)N1CC[C@H]1CO WXVL_AN3414SB3153 [0,1,0,1,0,0|2,0,0]=4 872 B13R1.726 O=C(CCCCCl)N1CC[C@@H]1CO WXVL_AN00694SB0379 [0,1,0,1,0,0|2,0,0]=4 873 B13R1.726 O=C(CCCCCl)N1CC[C@H]1CO WXVL_AN3414SB0379 [0,1,0,1,0,0|2,0,0]=4 874 B13R1.726 O=C(CCCCCl)N1CC[C@H]1CO WXVL_AN3414SB0379 [0,1,0,1,0,0|2,0,0]=4 875 B13R1.728 CCCCNC(=O)CCC1CCC1 WXVL_AK00588SB8784 [0,1,0,1,0,0|1,0,0]=3 876 B13R1.728 CCCCNC(=O)CCC1CCC1 WXVL_AK00588SB8784 [0,1,0,1,0,0|1,0,0]=3 877 B13R1.728 CSCCNC(=O)CCC1CCC1 WXVL_AK00440SB8784 [0,1,0,1,0,0|2,0,0]=4 878 B13R1.728 CSCCNC(=O)CCC1CCC1 WXVL_AK00440SB8784 [0,1,0,1,0,0|2,0,0]=4 879 B13R1.728 O=C(CCC1CCC1)NCCCO WXVL_AK0073SB8784 [0,1,0,1,0,0|2,0,0]=4 880 B13R1.728 O=C(CCC1CCC1)NCCCO WXVL_AK0073SB8784 [0,1,0,1,0,0|2,0,0]=4 881 B13R1.728 O=C(CCCCBr)NCC1CCC1 WXVL_AK00492SB3153 [0,1,0,1,0,0|2,0,0]=4 882 B13R1.728 O=C(CCCCBr)NCC1CCC1 WXVL_AK00492SB3153 [0,1,0,1,0,0|2,0,0]=4 883 B13R1.728 O=C(CCCCBr)NCC1CCO1 WXVL_AK1433SB3153 [0,1,0,1,0,0|2,0,0]=4 884 B13R1.728 O=C(CCCCBr)NCC1CCO1 WXVL_AK1433SB3153 [0,1,0,1,0,0|2,0,0]=4 885 B13R1.728 O=C(CCCCBr)NCC1COC1 WXVL_AK0186SB3153 [0,1,0,1,0,0|2,0,0]=4 886 B13R1.728 O=C(CCCCBr)NCC1COC1 WXVL_AK0186SB3153 [0,1,0,1,0,0|2,0,0]=4 887 B13R1.728 O=C(CCCCCl)NCC1CCC1 WXVL_AK00492SB0379 [0,1,0,1,0,0|2,0,0]=4 888 B13R1.728 O=C(CCCCCl)NCC1CCC1 WXVL_AK00492SB0379 [0,1,0,1,0,0|2,0,0]=4 889 B13R1.728 O=C(CCCCCl)NCC1CCO1 WXVL_AK1433SB0379 [0,1,0,1,0,0|2,0,0]=4 890 B13R1.728 O=C(CCCCCl)NCC1CCO1 WXVL_AK1433SB0379 [0,1,0,1,0,0|2,0,0]=4 891 B13R1.728 O=C(CCCCCl)NCC1COC1 WXVL_AK0186SB0379 [0,1,0,1,0,0|2,0,0]=4 892 B13R1.728 O=C(CCCCCl)NCC1COC1 WXVL_AK0186SB0379 [0,1,0,1,0,0|2,0,0]=4 893 B13R1.728 O=C(NCCCCl)NCC1CCC1 WXVL_AK00492YV0130 [0,1,0,1,0,0|2,0,0]=4 894 B13R1.728 O=C(NCCCCl)NCC1CCC1 WXVL_AK00492YV0130 [0,1,0,1,0,0|2,0,0]=4 895 B13R1.729 O=C(CCCCBr)NCCC1CC1 WXVL_AK00594SB3153 [0,1,0,1,0,0|2,0,0]=4 896 B13R1.729 O=C(CCCCBr)NCCC1CC1 WXVL_AK00594SB3153 [0,1,0,1,0,0|2,0,0]=4 897 B13R1.729 O=C(CCCCCl)NCCC1CC1 WXVL_AK00594SB0379 [0,1,0,1,0,0|2,0,0]=4 898 B13R1.729 O=C(CCCCCl)NCCC1CC1 WXVL_AK00594SB0379 [0,1,0,1,0,0|2,0,0]=4 899 B13R1.729 O=C(NCCCCl)NCCC1CC1 WXVL_AK00594YV0130 [0,1,0,1,0,0|2,0,0]=4 900 B13R1.729 O=C(NCCCCl)NCCC1CC1 WXVL_AK00594YV0130 [0,1,0,1,0,0|2,0,0]=4 901 B13R1.2916 C#CCCCNC(=O)CC1CCC1 WXVL_AK00218SB2207 [0,1,0,1,0,0|1,0,1]=4 902 B13R1.2916 C#CCCCNC(=O)CC1CCC1 WXVL_AK00218SB2207 [0,1,0,1,0,0|1,0,1]=4 903 B13R1.2916 CCCCCNC(=O)CC1CCC1 WXVL_AK0076SB2207 [0,1,0,1,0,0|1,0,0]=3 904 B13R1.2916 CCCCCNC(=O)CC1CCC1 WXVL_AK0076SB2207 [0,1,0,1,0,0|1,0,0]=3 905 B13R1.2916 CCSCCNC(=O)CC1CCC1 WXVL_AK00494SB2207 [0,1,0,1,0,0|1,0,0]=3 906 B13R1.2916 CCSCCNC(=O)CC1CCC1 WXVL_AK00494SB2207 [0,1,0,1,0,0|1,0,0]=3 907 B13R1.2916 COCCCNC(=O)CC1CCC1 WXVL_AK00637SB2207 [0,1,0,1,0,0|1,0,0]=3 908 B13R1.2916 COCCCNC(=O)CC1CCC1 WXVL_AK00637SB2207 [0,1,0,1,0,0|1,0,0]=3 909 B13R1.2916 CSCCCNC(=O)CC1CCC1 WXVL_AK0965SB2207 [0,1,0,1,0,0|1,0,0]=3 910 B13R1.2916 CSCCCNC(=O)CC1CCC1 WXVL_AK0965SB2207 [0,1,0,1,0,0|1,0,0]=3 911 B13R1.2916 O=C(CC1CCC1)NCCCCO WXVL_AK0075SB2207 [0,1,0,1,0,0|1,0,0]=3 912 B13R1.2916 O=C(CC1CCC1)NCCCCO WXVL_AK0075SB2207 [0,1,0,1,0,0|1,0,0]=3 913 B13R1.2916 O=C(CCCCCBr)NC1CNC1 WXVL_AK1291SB2192 [0,1,0,1,0,0|2,0,0]=4 914 B13R1.2916 O=C(CCCCCBr)NC1CNC1 WXVL_AK1291SB2192 [0,1,0,1,0,0|2,0,0]=4 915 B13R1.2916 O=C(CCCCCBr)NC1CSC1 WXVL_AK2089SB2192 [0,1,0,1,0,0|2,0,0]=4 916 B13R1.2916 O=C(CCCCCBr)NC1CSC1 WXVL_AK2089SB2192 [0,1,0,1,0,0|2,0,0]=4 917 B13R1.2916 O=C(CCCCCO)NC1CNC1 WXVL_AK1291SB2973 [0,1,0,1,0,0|2,0,0]=4 918 B13R1.2916 O=C(CCCCCO)NC1CNC1 WXVL_AK1291SB2973 [0,1,0,1,0,0|2,0,0]=4 919 B13R1.2916 O=C(CCCCCO)NC1CSC1 WXVL_AK2089SB2973 [0,1,0,1,0,0|2,0,0]=4 920 B13R1.2916 O=C(CCCCCO)NC1CSC1 WXVL_AK2089SB2973 [0,1,0,1,0,0|2,0,0]=4 921 B13R1.2917 C#CCCCNC(=O)CCC1CC1 WXVL_AK00218SB5360 [0,1,0,1,0,0|1,0,1]=4 922 B13R1.2917 C#CCCCNC(=O)CCC1CC1 WXVL_AK00218SB5360 [0,1,0,1,0,0|1,0,1]=4 923 B13R1.2917 CCCCCNC(=O)C=CC1CC1 WXVL_AK0076SB4216 [0,1,0,1,0,0|1,0,1]=4 924 B13R1.2917 CCCCCNC(=O)C=CC1CC1 WXVL_AK0076SB4216 [0,1,0,1,0,0|1,0,1]=4 925 B13R1.2917 CCCCCNC(=O)CCC1CC1 WXVL_AK0076SB5360 [0,1,0,1,0,0|1,0,0]=3 926 B13R1.2917 CCCCCNC(=O)CCC1CC1 WXVL_AK0076SB5360 [0,1,0,1,0,0|1,0,0]=3 927 B13R1.2917 CCSCCNC(=O)CCC1CC1 WXVL_AK00494SB5360 [0,1,0,1,0,0|1,0,0]=3 928 B13R1.2917 CCSCCNC(=O)CCC1CC1 WXVL_AK00494SB5360 [0,1,0,1,0,0|1,0,0]=3 929 B13R1.2917 COCCCNC(=O)CCC1CC1 WXVL_AK00637SB5360 [0,1,0,1,0,0|1,0,0]=3 930 B13R1.2917 COCCCNC(=O)CCC1CC1 WXVL_AK00637SB5360 [0,1,0,1,0,0|1,0,0]=3 931 B13R1.2917 CSCCCNC(=O)CCC1CC1 WXVL_AK0965SB5360 [0,1,0,1,0,0|1,0,0]=3 932 B13R1.2917 CSCCCNC(=O)CCC1CC1 WXVL_AK0965SB5360 [0,1,0,1,0,0|1,0,0]=3 933 B13R1.2917 O=C(CCC1CC1)NCCCCO WXVL_AK0075SB5360 [0,1,0,1,0,0|1,0,0]=3 934 B13R1.2917 O=C(CCC1CC1)NCCCCO WXVL_AK0075SB5360 [0,1,0,1,0,0|1,0,0]=3 935 B13R1.23 CC1CCN(C1)C(=O)CCCCBr WXVL_AN0556SB3153 [0,1,0,1,0,0|2,0,0]=4 936 B13R1.23 CC1CCN(C1)C(=O)CCCCBr WXVL_AN0556SB3153 [0,1,0,1,0,0|2,0,0]=4 937 B13R1.23 CC1CCN(C1)C(=O)CCCCCl WXVL_AN0556SB0379 [0,1,0,1,0,0|2,0,0]=4 938 B13R1.23 CC1CCN(C1)C(=O)CCCCCl WXVL_AN0556SB0379 [0,1,0,1,0,0|2,0,0]=4 939 B13R1.23 CCCCNC(=O)C1CCN(C1)C WXVL_AK00588SB1540 [0,1,0,1,0,0|2,0,0]=4 940 B13R1.23 CCCCNC(=O)C1CCN(C1)C WXVL_AK00588SB1540 [0,1,0,1,0,0|2,0,0]=4 941 B13R1.23 CCCCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00588SB00007 [0,1,0,1,0,0|2,0,0]=4 942 B13R1.23 CCCCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00588SB00007 [0,1,0,1,0,0|2,0,0]=4 943 B13R1.23 CCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00588SB0853 [0,1,0,1,0,0|1,0,0]=3 944 B13R1.23 CCCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00588SB0853 [0,1,0,1,0,0|1,0,0]=3 945 B13R1.23 CSCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00440SB0853 [0,1,0,1,0,0|2,0,0]=4 946 B13R1.23 CSCCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00440SB0853 [0,1,0,1,0,0|2,0,0]=4 947 B13R1.23 C[C@@H]1CCN(C1)C(=O)CCCCBr WXVL_AN00488SB3153 [0,1,0,1,0,0|2,0,0]=4 948 B13R1.23 C[C@@H]1CCN(C1)C(=O)CCCCBr WXVL_AN00488SB3153 [0,1,0,1,0,0|2,0,0]=4 949 B13R1.23 C[C@@H]1CCN(C1)C(=O)CCCCCl WXVL_AN00488SB0379 [0,1,0,1,0,0|2,0,0]=4 950 B13R1.23 C[C@@H]1CCN(C1)C(=O)CCCCCl WXVL_AN00488SB0379 [0,1,0,1,0,0|2,0,0]=4 951 B13R1.23 C[C@@H]1CC[C@@H](O1)C(=O)NCCCO WXVL_AK0073SB0853 [0,1,0,1,0,0|2,0,0]=4 952 B13R1.23 C[C@@H]1CC[C@@H](O1)C(=O)NCCCO WXVL_AK0073SB0853 [0,1,0,1,0,0|2,0,0]=4 953 B13R1.23 C[C@H]1CCN(C1)C(=O)CCCCBr WXVL_AN00094SB3153 [0,1,0,1,0,0|2,0,0]=4 954 B13R1.23 C[C@H]1CCN(C1)C(=O)CCCCBr WXVL_AN00094SB3153 [0,1,0,1,0,0|2,0,0]=4 955 B13R1.23 C[C@H]1CCN(C1)C(=O)CCCCCl WXVL_AN00094SB0379 [0,1,0,1,0,0|2,0,0]=4 956 B13R1.23 C[C@H]1CCN(C1)C(=O)CCCCCl WXVL_AN00094SB0379 [0,1,0,1,0,0|2,0,0]=4 957 B13R1.23 O=C(CCCCBr)N1CCC(C1)Br WXVL_AN00715SB3153 [0,1,0,1,0,0|2,0,0]=4 958 B13R1.23 O=C(CCCCBr)N1CCC(C1)F WXVL_AN00338SB3153 [0,1,0,1,0,0|2,0,0]=4 959 B13R1.23 O=C(CCCCBr)N1CCC(C1)F WXVL_AN00338SB3153 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.23 O=C(CCCCBr)N1CCC(C1)O WXVL_AN0158SB3153 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.23 O=C(CCCCBr)N1CCC(C1)O WXVL_AN0158SB3153 [0,1,0,1,0,0|2,0,0]=4 962 B13R1.23 O=C(CCCCBr)N1CC[C@@H](C1)O WXVL_AN00391SB3153 [0,1,0,1,0,0|2,0,0]=4 963 B13R1.23 O=C(CCCCBr)N1CC[C@@H](C1)O WXVL_AN00391SB3153 [0,1,0,1,0,0|2,0,0]=4 964 B13R1.23 O=C(CCCCBr)N1CC[C@H](C1)F WXVL_AN00035SB3153 [0,1,0,1,0,0|2,0,0]=4 965 B13R1.23 O=C(CCCCBr)N1CC[C@H](C1)F WXVL_AN00035SB3153 [0,1,0,1,0,0|2,0,0]=4 966 B13R1.23 O=C(CCCCBr)N1CC[C@H](C1)O WXVL_AN00543SB3153 [0,1,0,1,0,0|2,0,0]=4 967 B13R1.23 O=C(CCCCCl)N1CCC(C1)Br WXVL_AN00715SB0379 [0,1,0,1,0,0|2,0,0]=4 968 B13R1.23 O=C(CCCCCl)N1CCC(C1)F WXVL_AN00338SB0379 [0,1,0,1,0,0|2,0,0]=4 969 B13R1.23 O=C(CCCCCl)N1CCC(C1)F WXVL_AN00338SB0379 [0,1,0,1,0,0|2,0,0]=4 970 B13R1.23 O=C(CCCCCl)N1CCC(C1)O WXVL_AN0158SB0379 [0,1,0,1,0,0|2,0,0]=4 971 B13R1.23 O=C(CCCCCl)N1CCC(C1)O WXVL_AN0158SB0379 [0,1,0,1,0,0|2,0,0]=4 972 B13R1.23 O=C(CCCCCl)N1CC[C@@H](C1)O WXVL_AN00391SB0379 [0,1,0,1,0,0|2,0,0]=4 973 B13R1.23 O=C(CCCCCl)N1CC[C@@H](C1)O WXVL_AN00391SB0379 [0,1,0,1,0,0|2,0,0]=4 974 B13R1.23 O=C(CCCCCl)N1CC[C@H](C1)F WXVL_AN00035SB0379 [0,1,0,1,0,0|2,0,0]=4 975 B13R1.23 O=C(CCCCCl)N1CC[C@H](C1)F WXVL_AN00035SB0379 [0,1,0,1,0,0|2,0,0]=4 976 B13R1.23 O=C(CCCCCl)N1CC[C@H](C1)O WXVL_AN00543SB0379 [0,1,0,1,0,0|2,0,0]=4 977 B13R1.162 CO[C@H](C)CNC(=O)C1CCCC1 WXVL_AK00704SB0043 [0,1,0,1,0,0|2,0,0]=4 978 B13R1.162 CO[C@H](C)CNC(=O)C1CCCC1 WXVL_AK00704SB0043 [0,1,0,1,0,0|2,0,0]=4 979 B13R1.162 O=C(NC[C@@H](F)CO)C1CCCC1 WXVL_AK00590SB0043 [0,1,0,1,0,0|2,0,0]=4 980 B13R1.162 O=C(NC[C@@H](F)CO)C1CCCC1 WXVL_AK00590SB0043 [0,1,0,1,0,0|2,0,0]=4 981 B13R1.162 O=C(NC[C@H](O)CO)C1CCCC1 WXVL_AK00483SB0043 [0,1,0,1,0,0|2,0,0]=4 982 B13R1.162 O=C(NC[C@H](O)CO)C1CCCC1 WXVL_AK00483SB0043 [0,1,0,1,0,0|2,0,0]=4 983 B13R1.3065 CC1(CC1)CNC(=O)CCCCBr WXVL_AK00811SB3153 [0,1,0,1,0,0|2,0,0]=4 984 B13R1.3065 CC1(CC1)CNC(=O)CCCCBr WXVL_AK00811SB3153 [0,1,0,1,0,0|2,0,0]=4 985 B13R1.3065 CC1(CC1)CNC(=O)CCCCCl WXVL_AK00811SB0379 [0,1,0,1,0,0|2,0,0]=4 986 B13R1.3065 CC1(CC1)CNC(=O)CCCCCl WXVL_AK00811SB0379 [0,1,0,1,0,0|2,0,0]=4 987 B13R1.3065 O=C(CCCCBr)NCC1(CC1)O WXVL_AK0301SB3153 [0,1,0,1,0,0|2,0,0]=4 988 B13R1.3065 O=C(CCCCBr)NCC1(CC1)O WXVL_AK0301SB3153 [0,1,0,1,0,0|2,0,0]=4 989 B13R1.3065 O=C(CCCCCl)NCC1(CC1)O WXVL_AK0301SB0379 [0,1,0,1,0,0|2,0,0]=4 990 B13R1.3065 O=C(CCCCCl)NCC1(CC1)O WXVL_AK0301SB0379 [0,1,0,1,0,0|2,0,0]=4 991 B13R1.3545 CO[C@H](C)CNC(=O)CC1CCC1 WXVL_AK00704SB2207 [0,1,0,1,0,0|2,0,0]=4 992 B13R1.3545 CO[C@H](C)CNC(=O)CC1CCC1 WXVL_AK00704SB2207 [0,1,0,1,0,0|2,0,0]=4 993 B13R1.3545 O=C(CC1CCC1)NC[C@@H](F)CO WXVL_AK00590SB2207 [0,1,0,1,0,0|2,0,0]=4 994 B13R1.3545 O=C(CC1CCC1)NC[C@@H](F)CO WXVL_AK00590SB2207 [0,1,0,1,0,0|2,0,0]=4 995 B13R1.3545 O=C(CC1CCC1)NC[C@H](O)CO WXVL_AK00483SB2207 [0,1,0,1,0,0|2,0,0]=4 996 B13R1.3545 O=C(CC1CCC1)NC[C@H](O)CO WXVL_AK00483SB2207 [0,1,0,1,0,0|2,0,0]=4 997 B13R1.3546 CO[C@H](C)CNC(=O)CCC1CC1 WXVL_AK00704SB5360 [0,1,0,1,0,0|2,0,0]=4 998 B13R1.3546 CO[C@H](C)CNC(=O)CCC1CC1 WXVL_AK00704SB5360 [0,1,0,1,0,0|2,0,0]=4 999 B13R1.3546 O=C(CCC1CC1)NC[C@@H](F)CO WXVL_AK00590SB5360 [0,1,0,1,0,0|2,0,0]=4 1000 B13R1.3546 O=C(CCC1CC1)NC[C@@H](F)CO WXVL_AK00590SB5360 [0,1,0,1,0,0|2,0,0]=4 1001 B13R1.3546 O=C(CCC1CC1)NC[C@H](O)CO WXVL_AK00483SB5360 [0,1,0,1,0,0|2,0,0]=4 1002 B13R1.3546 O=C(CCC1CC1)NC[C@H](O)CO WXVL_AK00483SB5360 [0,1,0,1,0,0|2,0,0]=4 1003 B13R1.342 CC(C)CCCC(=O)N1CCCC1 WXVL_AN0008SB1301 [0,1,0,1,0,0|1,0,0]=3 1004 B13R1.342 CC(C)CCCC(=O)N1CCCC1 WXVL_AN0008SB1301 [0,1,0,1,0,0|1,0,0]=3 1005 B13R1.342 CC(C)CCNC(=O)C1CCCC1 WXVL_AK0068SB0043 [0,1,0,1,0,0|1,0,0]=3 1006 B13R1.342 CC(C)CCNC(=O)C1CCCC1 WXVL_AK0068SB0043 [0,1,0,1,0,0|1,0,0]=3 1007 B13R1.342 CC(C)CCNC(=O)C1CCCO1 WXVL_AK0068SB1033 [0,1,0,1,0,0|2,0,0]=4 1008 B13R1.342 CC(C)CCNC(=O)C1CCCO1 WXVL_AK0068SB1033 [0,1,0,1,0,0|2,0,0]=4 1009 B13R1.342 CC(C)CCNC(=O)C1CCCS1 WXVL_AK0068SB0022 [0,1,0,1,0,0|2,0,0]=4 1010 B13R1.342 CC(C)CCNC(=O)C1CCCS1 WXVL_AK0068SB0022 [0,1,0,1,0,0|2,0,0]=4 1011 B13R1.342 CC(C)CCNC(=O)[C@H]1CCCO1 WXVL_AK0068SB00043 [0,1,0,1,0,0|2,0,0]=4 1012 B13R1.342 CC(C)CCNC(=O)[C@H]1CCCO1 WXVL_AK0068SB00043 [0,1,0,1,0,0|2,0,0]=4 1013 B13R1.342 CN(C)CCCC(=O)N1CCCC1 WXVL_AN0008SB00055 [0,1,0,1,0,0|2,0,0]=4 1014 B13R1.342 CN(C)CCCC(=O)N1CCCC1 WXVL_AN0008SB00055 [0,1,0,1,0,0|2,0,0]=4 1015 B13R1.342 CN(C)CCNC(=O)C1CCCC1 WXVL_AK0058SB0043 [0,1,0,1,0,0|2,0,0]=4 1016 B13R1.342 CN(C)CCNC(=O)C1CCCC1 WXVL_AK0058SB0043 [0,1,0,1,0,0|2,0,0]=4 1017 B13R1.727 CC1CC(C1)NC(=O)CCCCBr WXVL_AK0309SB3153 [0,1,0,1,0,0|2,0,0]=4 1018 B13R1.727 CC1CC(C1)NC(=O)CCCCBr WXVL_AK0309SB3153 [0,1,0,1,0,0|2,0,0]=4 1019 B13R1.727 CC1CC(C1)NC(=O)CCCCCl WXVL_AK0309SB0379 [0,1,0,1,0,0|2,0,0]=4 1020 B13R1.727 CC1CC(C1)NC(=O)CCCCCl WXVL_AK0309SB0379 [0,1,0,1,0,0|2,0,0]=4 1021 B13R1.727 O=C(CCCCBr)NC1CC(C1)F WXVL_AK0307SB3153 [0,1,0,1,0,0|2,0,0]=4 1022 B13R1.727 O=C(CCCCBr)NC1CC(C1)F WXVL_AK0307SB3153 [0,1,0,1,0,0|2,0,0]=4 1023 B13R1.727 O=C(CCCCBr)NC1CC(C1)O WXVL_AK0306SB3153 [0,1,0,1,0,0|2,0,0]=4 1024 B13R1.727 O=C(CCCCBr)NC1CC(C1)O WXVL_AK0306SB3153 [0,1,0,1,0,0|2,0,0]=4 1025 B13R1.727 O=C(CCCCBr)N[C@H]1C[C@H](C1)O WXVL_AK1397SB3153 [0,1,0,1,0,0|2,0,0]=4 1026 B13R1.727 O=C(CCCCBr)N[C@H]1C[C@H](C1)O WXVL_AK1397SB3153 [0,1,0,1,0,0|2,0,0]=4 1027 B13R1.727 O=C(CCCCCl)NC1CC(C1)F WXVL_AK0307SB0379 [0,1,0,1,0,0|2,0,0]=4 1028 B13R1.727 O=C(CCCCCl)NC1CC(C1)F WXVL_AK0307SB0379 [0,1,0,1,0,0|2,0,0]=4 1029 B13R1.727 O=C(CCCCCl)NC1CC(C1)O WXVL_AK0306SB0379 [0,1,0,1,0,0|2,0,0]=4 1030 B13R1.727 O=C(CCCCCl)NC1CC(C1)O WXVL_AK0306SB0379 [0,1,0,1,0,0|2,0,0]=4 1031 B13R1.727 O=C(CCCCCl)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0379 [0,1,0,1,0,0|2,0,0]=4 1032 B13R1.727 O=C(CCCCCl)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0379 [0,1,0,1,0,0|2,0,0]=4 1033 B13R1.1047 CC(C)CCCC(=O)NC1CNC1 WXVL_AK1291SB1301 [0,1,0,1,0,0|2,0,0]=4 1034 B13R1.1047 CC(C)CCCC(=O)NC1CNC1 WXVL_AK1291SB1301 [0,1,0,1,0,0|2,0,0]=4 1035 B13R1.1047 CC(C)CCCC(=O)NC1CSC1 WXVL_AK2089SB1301 [0,1,0,1,0,0|2,0,0]=4 1036 B13R1.1047 CC(C)CCCC(=O)NC1CSC1 WXVL_AK2089SB1301 [0,1,0,1,0,0|2,0,0]=4 1037 B13R1.1047 CC(C)CCNC(=O)CC1CCC1 WXVL_AK0068SB2207 [0,1,0,1,0,0|1,0,0]=3 1038 B13R1.1047 CC(C)CCNC(=O)CC1CCC1 WXVL_AK0068SB2207 [0,1,0,1,0,0|1,0,0]=3 1039 B13R1.1047 CN(C)CCNC(=O)CC1CCC1 WXVL_AK0058SB2207 [0,1,0,1,0,0|2,0,0]=4 1040 B13R1.1047 CN(C)CCNC(=O)CC1CCC1 WXVL_AK0058SB2207 [0,1,0,1,0,0|2,0,0]=4 1041 B13R1.1048 CC(C)CCNC(=O)CCC1CC1 WXVL_AK0068SB5360 [0,1,0,1,0,0|1,0,0]=3 1042 B13R1.1048 CC(C)CCNC(=O)CCC1CC1 WXVL_AK0068SB5360 [0,1,0,1,0,0|1,0,0]=3 1043 B13R1.1048 CN(C)CCNC(=O)CCC1CC1 WXVL_AK0058SB5360 [0,1,0,1,0,0|2,0,0]=4 1044 B13R1.1048 CN(C)CCNC(=O)CCC1CC1 WXVL_AK0058SB5360 [0,1,0,1,0,0|2,0,0]=4 1045 B13R1.33 CC(CCO)NC(=O)C1CCCC1 WXVL_AK1288SB0043 [0,1,0,1,0,0|2,0,0]=4 1046 B13R1.33 CC(CCO)NC(=O)C1CCCC1 WXVL_AK1288SB0043 [0,1,0,1,0,0|2,0,0]=4 1047 B13R1.33 CCC[C@H](C)NC(=O)C1CCCC1 WXVL_AK00682SB0043 [0,1,0,1,0,0|1,0,0]=3 1048 B13R1.33 CCC[C@H](C)NC(=O)C1CCCC1 WXVL_AK00682SB0043 [0,1,0,1,0,0|1,0,0]=3 1049 B13R1.33 CCC[C@H](C)NC(=O)C1CCCO1 WXVL_AK00682SB1033 [0,1,0,1,0,0|2,0,0]=4 1050 B13R1.33 CCC[C@H](C)NC(=O)C1CCCO1 WXVL_AK00682SB1033 [0,1,0,1,0,0|2,0,0]=4 1051 B13R1.33 CCC[C@H](C)NC(=O)C1CCCS1 WXVL_AK00682SB0022 [0,1,0,1,0,0|2,0,0]=4 1052 B13R1.33 CCC[C@H](C)NC(=O)C1CCCS1 WXVL_AK00682SB0022 [0,1,0,1,0,0|2,0,0]=4 1053 B13R1.33 CCC[C@H](C)NC(=O)[C@H]1CCCO1 WXVL_AK00682SB00043 [0,1,0,1,0,0|2,0,0]=4 1054 B13R1.33 CCC[C@H](C)NC(=O)[C@H]1CCCO1 WXVL_AK00682SB00043 [0,1,0,1,0,0|2,0,0]=4 1055 B13R1.33 COC[C@@H](C)NC(=O)C1CCCC1 WXVL_AK00613SB0043 [0,1,0,1,0,0|2,0,0]=4 1056 B13R1.33 COC[C@@H](C)NC(=O)C1CCCC1 WXVL_AK00613SB0043 [0,1,0,1,0,0|2,0,0]=4 1057 B13R1.33 COC[C@H](C)NC(=O)C1CCCC1 WXVL_AK0137SB0043 [0,1,0,1,0,0|2,0,0]=4 1058 B13R1.33 COC[C@H](C)NC(=O)C1CCCC1 WXVL_AK0137SB0043 [0,1,0,1,0,0|2,0,0]=4 1059 B13R1.2770 CCCCNC(=O)CC1(CCC1)O WXVL_AK00588SB0026 [0,1,0,1,0,0|1,0,0]=3 1060 B13R1.2770 CCCCNC(=O)CC1(CCC1)O WXVL_AK00588SB0026 [0,1,0,1,0,0|1,0,0]=3 1061 B13R1.2770 CSCCNC(=O)CC1(CCC1)O WXVL_AK00440SB0026 [0,1,0,1,0,0|2,0,0]=4 1062 B13R1.2770 CSCCNC(=O)CC1(CCC1)O WXVL_AK00440SB0026 [0,1,0,1,0,0|2,0,0]=4 1063 B13R1.2770 O=C(CC1(CCC1)O)NCCCO WXVL_AK0073SB0026 [0,1,0,1,0,0|2,0,0]=4 1064 B13R1.2770 O=C(CC1(CCC1)O)NCCCO WXVL_AK0073SB0026 [0,1,0,1,0,0|2,0,0]=4 1065 B13R1.2846 CC(CCO)NC(=O)CC1CCC1 WXVL_AK1288SB2207 [0,1,0,1,0,0|2,0,0]=4 1066 B13R1.2846 CC(CCO)NC(=O)CC1CCC1 WXVL_AK1288SB2207 [0,1,0,1,0,0|2,0,0]=4 1067 B13R1.2846 CCC[C@H](C)NC(=O)CC1CCC1 WXVL_AK00682SB2207 [0,1,0,1,0,0|1,0,0]=3 1068 B13R1.2846 CCC[C@H](C)NC(=O)CC1CCC1 WXVL_AK00682SB2207 [0,1,0,1,0,0|1,0,0]=3 1069 B13R1.2846 COC[C@@H](C)NC(=O)CC1CCC1 WXVL_AK00613SB2207 [0,1,0,1,0,0|2,0,0]=4 1070 B13R1.2846 COC[C@@H](C)NC(=O)CC1CCC1 WXVL_AK00613SB2207 [0,1,0,1,0,0|2,0,0]=4 1071 B13R1.2846 COC[C@H](C)NC(=O)CC1CCC1 WXVL_AK0137SB2207 [0,1,0,1,0,0|2,0,0]=4 1072 B13R1.2846 COC[C@H](C)NC(=O)CC1CCC1 WXVL_AK0137SB2207 [0,1,0,1,0,0|2,0,0]=4 1073 B13R1.2847 CC(CCO)NC(=O)CCC1CC1 WXVL_AK1288SB5360 [0,1,0,1,0,0|2,0,0]=4 1074 B13R1.2847 CC(CCO)NC(=O)CCC1CC1 WXVL_AK1288SB5360 [0,1,0,1,0,0|2,0,0]=4 1075 B13R1.2847 CCC[C@H](C)NC(=O)CCC1CC1 WXVL_AK00682SB5360 [0,1,0,1,0,0|1,0,0]=3 1076 B13R1.2847 CCC[C@H](C)NC(=O)CCC1CC1 WXVL_AK00682SB5360 [0,1,0,1,0,0|1,0,0]=3 1077 B13R1.2847 COC[C@@H](C)NC(=O)CCC1CC1 WXVL_AK00613SB5360 [0,1,0,1,0,0|2,0,0]=4 1078 B13R1.2847 COC[C@@H](C)NC(=O)CCC1CC1 WXVL_AK00613SB5360 [0,1,0,1,0,0|2,0,0]=4 1079 B13R1.2847 COC[C@H](C)NC(=O)CCC1CC1 WXVL_AK0137SB5360 [0,1,0,1,0,0|2,0,0]=4 1080 B13R1.2847 COC[C@H](C)NC(=O)CCC1CC1 WXVL_AK0137SB5360 [0,1,0,1,0,0|2,0,0]=4 1081 B13R1.2969 CC(NC(=O)CCCCBr)C1CC1 WXVL_AK00200SB3153 [0,1,0,1,0,0|2,0,0]=4 1082 B13R1.2969 CC(NC(=O)CCCCBr)C1CC1 WXVL_AK00200SB3153 [0,1,0,1,0,0|2,0,0]=4 1083 B13R1.2969 CC(NC(=O)CCCCCl)C1CC1 WXVL_AK00200SB0379 [0,1,0,1,0,0|2,0,0]=4 1084 B13R1.2969 CC(NC(=O)CCCCCl)C1CC1 WXVL_AK00200SB0379 [0,1,0,1,0,0|2,0,0]=4 1085 B13R1.2969 C[C@H](NC(=O)CCCCBr)C1CC1 WXVL_AK0484SB3153 [0,1,0,1,0,0|2,0,0]=4 1086 B13R1.2969 C[C@H](NC(=O)CCCCBr)C1CC1 WXVL_AK0484SB3153 [0,1,0,1,0,0|2,0,0]=4 1087 B13R1.2969 C[C@H](NC(=O)CCCCCl)C1CC1 WXVL_AK0484SB0379 [0,1,0,1,0,0|2,0,0]=4 1088 B13R1.2969 C[C@H](NC(=O)CCCCCl)C1CC1 WXVL_AK0484SB0379 [0,1,0,1,0,0|2,0,0]=4 1089 B13R1.2951 CCCCNS(=O)(=O)CC1CCC1 WXVL_AK00588HU0422 [0,1,0,1,0,0|2,0,0]=4 1090 B13R1.2951 CCCCNS(=O)(=O)CC1CCC1 WXVL_AK00588HU0422 [0,1,0,1,0,0|2,0,0]=4 1091 B13R1.166 CCCCC(O)C(=O)N1CCCC1 WXVL_AN0008SB3429 [0,1,0,1,0,0|1,0,0]=3 1092 B13R1.166 CCCCC(O)C(=O)N1CCCC1 WXVL_AN0008SB3429 [0,1,0,1,0,0|1,0,0]=3 1093 B13R1.166 COCCN(C)C(=O)C1CCCC1 WXVL_AN0085SB0043 [0,1,0,1,0,0|2,0,0]=4 1094 B13R1.166 COCCN(C)C(=O)C1CCCC1 WXVL_AN0085SB0043 [0,1,0,1,0,0|2,0,0]=4 1095 B13R1.2747 CC1(CCCC1)C(=O)NCCCO WXVL_AK0073SB0209 [0,1,0,1,0,0|2,0,0]=4 1096 B13R1.2747 CC1(CCCC1)C(=O)NCCCO WXVL_AK0073SB0209 [0,1,0,1,0,0|2,0,0]=4 1097 B13R1.2747 CCCCNC(=O)C1(CCCC1)C WXVL_AK00588SB0209 [0,1,0,1,0,0|1,0,0]=3 1098 B13R1.2747 CCCCNC(=O)C1(CCCC1)C WXVL_AK00588SB0209 [0,1,0,1,0,0|1,0,0]=3 1099 B13R1.2747 CCCCNC(=O)[C@]1(CCCN1)C WXVL_AK00588SB00033 [0,1,0,1,0,0|2,0,0]=4 1100 B13R1.2747 CCCCNC(=O)[C@]1(CCCN1)C WXVL_AK00588SB00033 [0,1,0,1,0,0|2,0,0]=4 1101 B13R1.2747 CSCCNC(=O)C1(CCCC1)C WXVL_AK00440SB0209 [0,1,0,1,0,0|2,0,0]=4 1102 B13R1.2747 CSCCNC(=O)C1(CCCC1)C WXVL_AK00440SB0209 [0,1,0,1,0,0|2,0,0]=4 1103 B13R1.3554 CCCCC(O)C(=O)NC1CNC1 WXVL_AK1291SB3429 [0,1,0,1,0,0|2,0,0]=4 1104 B13R1.3554 CCCCC(O)C(=O)NC1CNC1 WXVL_AK1291SB3429 [0,1,0,1,0,0|2,0,0]=4 1105 B13R1.3554 CCCCC(O)C(=O)NC1CSC1 WXVL_AK2089SB3429 [0,1,0,1,0,0|2,0,0]=4 1106 B13R1.3554 CCCCC(O)C(=O)NC1CSC1 WXVL_AK2089SB3429 [0,1,0,1,0,0|2,0,0]=4 1107 B13R1.3554 COCCN(C)C(=O)CC1CCC1 WXVL_AN0085SB2207 [0,1,0,1,0,0|2,0,0]=4 1108 B13R1.3554 COCCN(C)C(=O)CC1CCC1 WXVL_AN0085SB2207 [0,1,0,1,0,0|2,0,0]=4 1109 B13R1.3555 COCCN(C)C(=O)CCC1CC1 WXVL_AN0085SB5360 [0,1,0,1,0,0|2,0,0]=4 1110 B13R1.3555 COCCN(C)C(=O)CCC1CC1 WXVL_AN0085SB5360 [0,1,0,1,0,0|2,0,0]=4 1111 B13R2.443 O=C(CCC1CC1)N2CCCC2 WXVL_AN0008SB5360 [0,0,0,2,0,0|1,0,0]=3 1112 B13R2.443 O=C(CCC1CC1)N2CCCC2 WXVL_AN0008SB5360 [0,0,0,2,0,0|1,0,0]=3 1113 B13R2.445 O=C(CC1CCC1)N2CCCC2 WXVL_AN0008SB2207 [0,0,0,2,0,0|1,0,0]=3 1114 B13R2.445 O=C(CC1CCC1)N2CCCC2 WXVL_AN0008SB2207 [0,0,0,2,0,0|1,0,0]=3 1115 B13R2.445 O=C(NC1CNC1)C2CCCC2 WXVL_AK1291SB0043 [0,0,0,2,0,0|2,0,0]=4 1116 B13R2.445 O=C(NC1CNC1)C2CCCC2 WXVL_AK1291SB0043 [0,0,0,2,0,0|2,0,0]=4 1117 B13R2.445 O=C(NC1CSC1)C2CCCC2 WXVL_AK2089SB0043 [0,0,0,2,0,0|2,0,0]=4 1118 B13R2.445 O=C(NC1CSC1)C2CCCC2 WXVL_AK2089SB0043 [0,0,0,2,0,0|2,0,0]=4 1119 B13R2.674 O=C(C1CCCC1)N2CCCC2 WXVL_AN0008SB0043 [0,0,0,2,0,0|1,0,0]=3 1120 B13R2.674 O=C(C1CCCC1)N2CCCC2 WXVL_AN0008SB0043 [0,0,0,2,0,0|1,0,0]=3 1121 B13R2.674 O=C(C1CCCO1)N2CCCC2 WXVL_AN0008SB1033 [0,0,0,2,0,0|2,0,0]=4 1122 B13R2.674 O=C(C1CCCO1)N2CCCC2 WXVL_AN0008SB1033 [0,0,0,2,0,0|2,0,0]=4 1123 B13R2.674 O=C(C1CCCS1)N2CCCC2 WXVL_AN0008SB0022 [0,0,0,2,0,0|2,0,0]=4 1124 B13R2.674 O=C(C1CCCS1)N2CCCC2 WXVL_AN0008SB0022 [0,0,0,2,0,0|2,0,0]=4 1125 B13R2.674 O=C([C@H]1CCCO1)N2CCCC2 WXVL_AN0008SB00043 [0,0,0,2,0,0|2,0,0]=4 1126 B13R2.674 O=C([C@H]1CCCO1)N2CCCC2 WXVL_AN0008SB00043 [0,0,0,2,0,0|2,0,0]=4 1127 B13R2.14221 O=C(CCC1CC1)NC2CNC2 WXVL_AK1291SB5360 [0,0,0,2,0,0|2,0,0]=4 1128 B13R2.14221 O=C(CCC1CC1)NC2CNC2 WXVL_AK1291SB5360 [0,0,0,2,0,0|2,0,0]=4 1129 B13R2.14221 O=C(CCC1CC1)NC2CSC2 WXVL_AK2089SB5360 [0,0,0,2,0,0|2,0,0]=4 1130 B13R2.14221 O=C(CCC1CC1)NC2CSC2 WXVL_AK2089SB5360 [0,0,0,2,0,0|2,0,0]=4 1131 B13R2.14237 O=C(CC1CCC1)NC2CNC2 WXVL_AK1291SB2207 [0,0,0,2,0,0|2,0,0]=4 1132 B13R2.14237 O=C(CC1CCC1)NC2CNC2 WXVL_AK1291SB2207 [0,0,0,2,0,0|2,0,0]=4 1133 B13R2.14237 O=C(CC1CCC1)NC2CSC2 WXVL_AK2089SB2207 [0,0,0,2,0,0|2,0,0]=4 1134 B13R2.14237 O=C(CC1CCC1)NC2CSC2 WXVL_AK2089SB2207 [0,0,0,2,0,0|2,0,0]=4