0 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 C#CCC(=O)NCCCC WXVL_AK00588SB3070 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.5 C#CCCCC(=O)NCC WXVL_AK00476SB2709 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 C#CCCNC(=O)CCC WXVL_AK3109SB0073 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.5 C/C=C/C(=O)NCCCO WXVL_AK0073SB0340 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.5 C/C=C/C(=O)NCCSC WXVL_AK00440SB0340 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.5 CC#CC(=O)NCCCO WXVL_AK0073SB1240 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.5 CC#CC(=O)NCCSC WXVL_AK00440SB1240 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,0,0,0,0,0|3,0,0]=3 29 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,0,0,0,0,0|3,0,0]=3 32 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.5 CCCCNC(=O)CC#N WXVL_AK00588SB0057 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,0,0,0,0,0|2,0,0]=2 35 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,0,0,0,0,0|2,0,0]=2 44 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,0,0,0,0,0|2,0,0]=2 46 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,0,0,0,0,0|3,0,0]=3 47 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,0,0,0,0,0|3,0,0]=3 48 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.5 COCC(=O)NCCCO WXVL_AK0073SB0090 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.5 COCC(=O)NCCSC WXVL_AK00440SB0090 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.5 CSCC(=O)NCCCO WXVL_AK0073SB1267 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.5 CSCCNC(=O)CSC WXVL_AK00440SB1267 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,2]=4 62 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,0]=3 67 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,0]=3 80 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [1,0,0,0,0,0|1,0,2]=4 85 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [1,0,0,0,0,0|1,0,2]=4 86 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [1,0,0,0,0,0|1,0,2]=4 87 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [1,0,0,0,0,0|1,0,2]=4 88 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [1,0,0,0,0,0|1,0,2]=4 89 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [1,0,0,0,0,0|1,0,2]=4 90 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [1,0,0,0,0,0|1,0,2]=4 91 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [1,0,0,0,0,0|1,0,2]=4 92 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [1,0,0,0,0,0|1,0,2]=4 93 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,0,0,0,0,0|2,0,0]=3 99 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,0,0,0,0,0|1,0,0]=2 101 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,0,0,0,0,0|1,0,0]=2 102 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.6 CNC(=O)NCCCCl WXVL_AK00442YV0130 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [1,0,0,0,0,0|3,0,0]=4 111 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [1,0,0,0,0,0|3,0,0]=4 112 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,1,0,0,0,0|1,0,2]=4 115 B10R0.1 C#CCC(=O)NCCCCC WXVL_AK0076SB3070 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,1,0,0,0,0|1,0,1]=3 121 B10R0.1 C/C=C/C(=O)NCCCCC WXVL_AK0076SB0340 [0,1,0,0,0,0|1,0,1]=3 122 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.1 C/C=C/C(=O)NCCCCO WXVL_AK0075SB0340 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.1 C/C=C/C(=O)NCCCOC WXVL_AK00637SB0340 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.1 C/C=C/C(=O)NCCCSC WXVL_AK0965SB0340 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.1 C/C=C/C(=O)NCCSCC WXVL_AK00494SB0340 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,1,0,0,0,0|1,0,2]=4 131 B10R0.1 C=CCC(=O)NCCCCC WXVL_AK0076SB2732 [0,1,0,0,0,0|1,0,2]=4 132 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,1,0,0,0,0|1,0,1]=3 133 B10R0.1 CC#CC(=O)NCCCCC WXVL_AK0076SB1240 [0,1,0,0,0,0|1,0,1]=3 134 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,1,0,0,0,0|2,0,1]=4 135 B10R0.1 CC#CC(=O)NCCCCO WXVL_AK0075SB1240 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,1,0,0,0,0|2,0,1]=4 137 B10R0.1 CC#CC(=O)NCCCOC WXVL_AK00637SB1240 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.1 CC#CC(=O)NCCCSC WXVL_AK0965SB1240 [0,1,0,0,0,0|2,0,1]=4 140 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,1,0,0,0,0|2,0,1]=4 141 B10R0.1 CC#CC(=O)NCCSCC WXVL_AK00494SB1240 [0,1,0,0,0,0|2,0,1]=4 142 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,1,0,0,0,0|2,0,0]=3 145 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,1,0,0,0,0|2,0,0]=3 147 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,1,0,0,0,0|2,0,0]=3 148 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,1,0,0,0,0|2,0,0]=3 149 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,1,0,0,0,0|2,0,0]=3 150 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.1 CCCCCNC(=O)CC#N WXVL_AK0076SB0057 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|1,0,0]=2 153 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|1,0,0]=2 154 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,1,0,0,0,0|2,0,0]=3 155 B10R0.1 CCCCCNC(=O)COC WXVL_AK0076SB0090 [0,1,0,0,0,0|2,0,0]=3 156 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,1,0,0,0,0|2,0,0]=3 157 B10R0.1 CCCCCNC(=O)CSC WXVL_AK0076SB1267 [0,1,0,0,0,0|2,0,0]=3 158 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|1,0,0]=2 159 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|1,0,0]=2 160 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|1,0,0]=2 161 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|1,0,0]=2 162 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,1,0,0,0,0|2,0,0]=3 163 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,1,0,0,0,0|2,0,0]=3 164 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,1,0,0,0,0|3,0,0]=4 165 B10R0.1 CCSCCNC(=O)COC WXVL_AK00494SB0090 [0,1,0,0,0,0|3,0,0]=4 166 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.1 CCSCCNC(=O)CSC WXVL_AK00494SB1267 [0,1,0,0,0,0|3,0,0]=4 168 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.1 COCC(=O)NCCCCO WXVL_AK0075SB0090 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,1,0,0,0,0|3,0,0]=4 171 B10R0.1 COCC(=O)NCCCSC WXVL_AK0965SB0090 [0,1,0,0,0,0|3,0,0]=4 172 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,1,0,0,0,0|3,0,0]=4 173 B10R0.1 COCCCNC(=O)COC WXVL_AK00637SB0090 [0,1,0,0,0,0|3,0,0]=4 174 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,1,0,0,0,0|3,0,0]=4 175 B10R0.1 COCCCNC(=O)CSC WXVL_AK00637SB1267 [0,1,0,0,0,0|3,0,0]=4 176 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,1,0,0,0,0|3,0,0]=4 177 B10R0.1 CSCC(=O)NCCCCO WXVL_AK0075SB1267 [0,1,0,0,0,0|3,0,0]=4 178 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,1,0,0,0,0|3,0,0]=4 179 B10R0.1 CSCCCNC(=O)CSC WXVL_AK0965SB1267 [0,1,0,0,0,0|3,0,0]=4 180 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,1,0,0,0,0|2,0,1]=4 181 B10R0.2 C/C=C/C(=O)N[C@@H](C)CCC WXVL_AK00682SB0340 [0,1,0,0,0,0|2,0,1]=4 182 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,1,0,0,0,0|2,0,1]=4 183 B10R0.2 CC#CC(=O)N[C@@H](C)CCC WXVL_AK00682SB1240 [0,1,0,0,0,0|2,0,1]=4 184 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,1,0,0,0,0|3,0,0]=4 185 B10R0.2 CCCC(=O)NC(C)CCO WXVL_AK1288SB0073 [0,1,0,0,0,0|3,0,0]=4 186 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,1,0,0,0,0|2,0,0]=3 187 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,1,0,0,0,0|2,0,0]=3 188 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,1,0,0,0,0|3,0,0]=4 189 B10R0.2 CCCC(=O)N[C@@H](C)COC WXVL_AK0137SB0073 [0,1,0,0,0,0|3,0,0]=4 190 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,1,0,0,0,0|3,0,0]=4 191 B10R0.2 CCCC(=O)N[C@H](C)COC WXVL_AK00613SB0073 [0,1,0,0,0,0|3,0,0]=4 192 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,1,0,0,0,0|3,0,0]=4 193 B10R0.2 CCC[C@H](C)NC(=O)COC WXVL_AK00682SB0090 [0,1,0,0,0,0|3,0,0]=4 194 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,1,0,0,0,0|3,0,0]=4 195 B10R0.2 CCC[C@H](C)NC(=O)CSC WXVL_AK00682SB1267 [0,1,0,0,0,0|3,0,0]=4 196 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,1,0,0,0,0|1,0,1]=3 197 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,1,0,0,0,0|1,0,1]=3 198 B10R0.3 C/C=C/C(=O)NCCC(C)C WXVL_AK0068SB0340 [0,1,0,0,0,0|2,0,1]=4 199 B10R0.3 C/C=C/C(=O)NCCC(C)C WXVL_AK0068SB0340 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.3 CC#CC(=O)NCCC(C)C WXVL_AK0068SB1240 [0,1,0,0,0,0|2,0,1]=4 201 B10R0.3 CC#CC(=O)NCCC(C)C WXVL_AK0068SB1240 [0,1,0,0,0,0|2,0,1]=4 202 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [0,1,0,0,0,0|2,0,0]=3 203 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [0,1,0,0,0,0|2,0,0]=3 204 B10R0.3 CCCC(=O)NCCN(C)C WXVL_AK0058SB0073 [0,1,0,0,0,0|3,0,0]=4 205 B10R0.3 CCCC(=O)NCCN(C)C WXVL_AK0058SB0073 [0,1,0,0,0,0|3,0,0]=4 206 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|1,0,2]=4 207 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|1,0,2]=4 208 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,1,0,0,0,0|1,0,0]=2 209 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,1,0,0,0,0|1,0,0]=2 210 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [0,1,0,0,0,0|2,0,0]=3 211 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,1,0,0,0,0|2,0,1]=4 213 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,1,0,0,0,0|2,0,1]=4 214 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|1,0,1]=3 215 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|1,0,1]=3 216 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [0,1,0,0,0,0|3,0,0]=4 217 B10R0.3 COCC(=O)NCCC(C)C WXVL_AK0068SB0090 [0,1,0,0,0,0|3,0,0]=4 218 B10R0.3 CSCC(=O)NCCC(C)C WXVL_AK0068SB1267 [0,1,0,0,0,0|3,0,0]=4 219 B10R0.3 CSCC(=O)NCCC(C)C WXVL_AK0068SB1267 [0,1,0,0,0,0|3,0,0]=4 220 B10R0.6 C#CCCCC(=O)NC(C)C WXVL_AK0030SB2709 [0,1,0,0,0,0|1,0,2]=4 221 B10R0.6 C#CCCCC(=O)NC(C)C WXVL_AK0030SB2709 [0,1,0,0,0,0|1,0,2]=4 222 B10R0.6 C=CCCCC(=O)NC(C)C WXVL_AK0030SB2920 [0,1,0,0,0,0|1,0,2]=4 223 B10R0.6 C=CCCCC(=O)NC(C)C WXVL_AK0030SB2920 [0,1,0,0,0,0|1,0,2]=4 224 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [0,1,0,0,0,0|3,0,0]=4 225 B10R0.6 CC(C)CC(=O)NCCCO WXVL_AK0073SB0063 [0,1,0,0,0,0|3,0,0]=4 226 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [0,1,0,0,0,0|2,0,0]=3 227 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [0,1,0,0,0,0|2,0,0]=3 229 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [0,1,0,0,0,0|2,0,0]=3 230 B10R0.6 CC(C)NC(=O)NCCCCl WXVL_AK0030YV0130 [0,1,0,0,0,0|3,0,0]=4 231 B10R0.6 CC(C)NC(=O)NCCCCl WXVL_AK0030YV0130 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [0,1,0,0,0,0|3,0,0]=4 233 B10R0.6 CC(O)CC(=O)NCCCO WXVL_AK0073SB3643 [0,1,0,0,0,0|3,0,0]=4 234 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,1,0,0,0,0|1,0,2]=4 235 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,1,0,0,0,0|1,0,2]=4 236 B10R0.6 CCCCNC(=O)C=C(C)C WXVL_AK00588SB0342 [0,1,0,0,0,0|2,0,1]=4 237 B10R0.6 CCCCNC(=O)C=C(C)C WXVL_AK00588SB0342 [0,1,0,0,0,0|2,0,1]=4 238 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [0,1,0,0,0,0|2,0,0]=3 239 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [0,1,0,0,0,0|2,0,0]=3 240 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,1,0,0,0,0|2,0,0]=3 241 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,1,0,0,0,0|2,0,0]=3 242 B10R0.6 CCCCNC(=O)CN(C)C WXVL_AK00588SB0085 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.6 CCCCNC(=O)CN(C)C WXVL_AK00588SB0085 [0,1,0,0,0,0|3,0,0]=4 244 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [0,1,0,0,0,0|3,0,0]=4 245 B10R0.6 CSCCNC(=O)CC(C)C WXVL_AK00440SB0063 [0,1,0,0,0,0|3,0,0]=4 246 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [0,1,0,0,0,0|3,0,0]=4 247 B10R0.6 CSCCNC(=O)CC(C)O WXVL_AK00440SB3643 [0,1,0,0,0,0|3,0,0]=4 248 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|3,0,0]=4 249 B10R0.19 CCCC(=O)N(C)CCOC WXVL_AN0085SB0073 [0,1,0,0,0,0|3,0,0]=4 250 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,0]=2 251 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,0]=2 252 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,1]=3 253 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,1]=3 254 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,1]=4 255 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,1]=4 256 B10R0.83 C/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0343 [0,1,0,0,0,0|2,0,1]=4 257 B10R0.83 C/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0343 [0,1,0,0,0,0|2,0,1]=4 258 B10R0.83 CCC(=O)C(=O)NCCCO WXVL_AK0073SB0344 [0,1,0,0,0,0|3,0,0]=4 259 B10R0.83 CCC(=O)C(=O)NCCCO WXVL_AK0073SB0344 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.83 CCC(=O)C(=O)NCCSC WXVL_AK00440SB0344 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.83 CCC(=O)C(=O)NCCSC WXVL_AK00440SB0344 [0,1,0,0,0,0|3,0,0]=4 262 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [0,1,0,0,0,0|3,0,0]=4 263 B10R0.83 CCC(C)C(=O)NCCCO WXVL_AK0073SB0054 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.83 CCC(C)C(=O)NCCSC WXVL_AK00440SB0054 [0,1,0,0,0,0|3,0,0]=4 266 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,1,0,0,0,0|2,0,0]=3 267 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,1,0,0,0,0|2,0,0]=3 268 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [0,1,0,0,0,0|2,0,0]=3 269 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [0,1,0,0,0,0|2,0,0]=3 270 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [0,1,0,0,0,0|3,0,0]=4 271 B10R0.83 CCCCNC(=O)[C@@H](C)OC WXVL_AK00588SB2926 [0,1,0,0,0,0|3,0,0]=4 272 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [0,1,0,0,0,0|2,0,0]=3 273 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [0,1,0,0,0,0|2,0,0]=3 274 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [0,1,0,0,0,0|2,0,0]=3 275 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [0,1,0,0,0,0|2,0,0]=3 276 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [0,1,0,0,0,0|3,0,0]=4 277 B10R0.83 CC[C@@H](C)C(=O)NCCCO WXVL_AK0073SB00054 [0,1,0,0,0,0|3,0,0]=4 278 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [0,1,0,0,0,0|3,0,0]=4 279 B10R0.83 CC[C@@H](C)C(=O)NCCSC WXVL_AK00440SB00054 [0,1,0,0,0,0|3,0,0]=4 280 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [0,1,0,0,0,0|3,0,0]=4 281 B10R0.83 CC[C@H](O)C(=O)NCCCO WXVL_AK0073SB3573 [0,1,0,0,0,0|3,0,0]=4 282 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [0,1,0,0,0,0|3,0,0]=4 283 B10R0.83 CC[C@H](O)C(=O)NCCSC WXVL_AK00440SB3573 [0,1,0,0,0,0|3,0,0]=4 284 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [0,1,0,0,0,0|2,0,1]=4 285 B10R0.91 C#CCCC(=O)NCCCC WXVL_AK00588SB2189 [0,1,0,0,0,0|2,0,1]=4 286 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [0,1,0,0,0,0|1,0,2]=4 287 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [0,1,0,0,0,0|1,0,2]=4 288 B10R0.91 C#CCCCC(=O)NCCF WXVL_AK00466SB2709 [0,1,0,0,0,0|1,0,2]=4 289 B10R0.91 C#CCCCC(=O)NCCF WXVL_AK00466SB2709 [0,1,0,0,0,0|1,0,2]=4 290 B10R0.91 C#CCCNC(=O)COCC WXVL_AK3109SB0091 [0,1,0,0,0,0|1,0,2]=4 291 B10R0.91 C#CCCNC(=O)COCC WXVL_AK3109SB0091 [0,1,0,0,0,0|1,0,2]=4 292 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [0,1,0,0,0,0|2,0,1]=4 293 B10R0.91 C=CCCC(=O)NCCCC WXVL_AK00588SB1035 [0,1,0,0,0,0|2,0,1]=4 294 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [0,1,0,0,0,0|1,0,2]=4 295 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [0,1,0,0,0,0|1,0,2]=4 296 B10R0.91 C=CCCCC(=O)NCCF WXVL_AK00466SB2920 [0,1,0,0,0,0|1,0,2]=4 297 B10R0.91 C=CCCCC(=O)NCCF WXVL_AK00466SB2920 [0,1,0,0,0,0|1,0,2]=4 298 B10R0.91 C=CCCNC(=O)COCC WXVL_AK00138SB0091 [0,1,0,0,0,0|1,0,2]=4 299 B10R0.91 C=CCCNC(=O)COCC WXVL_AK00138SB0091 [0,1,0,0,0,0|1,0,2]=4 300 B10R0.91 C=CCNC(=O)CCCCBr WXVL_AK00561SB3153 [0,1,0,0,0,0|2,0,1]=4 301 B10R0.91 C=CCNC(=O)CCCCBr WXVL_AK00561SB3153 [0,1,0,0,0,0|2,0,1]=4 302 B10R0.91 C=CCNC(=O)CCCCCl WXVL_AK00561SB0379 [0,1,0,0,0,0|2,0,1]=4 303 B10R0.91 C=CCNC(=O)CCCCCl WXVL_AK00561SB0379 [0,1,0,0,0,0|2,0,1]=4 304 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|1,0,2]=4 305 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|1,0,2]=4 306 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,1,0,0,0,0|1,0,2]=4 307 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,1,0,0,0,0|1,0,2]=4 308 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,1,0,0,0,0|2,0,1]=4 309 B10R0.91 CCCCNC(=O)/C=C/CBr WXVL_AK00588SB0424 [0,1,0,0,0,0|2,0,1]=4 310 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,1,0,0,0,0|2,0,0]=3 311 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,1,0,0,0,0|2,0,0]=3 312 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,1,0,0,0,0|2,0,0]=3 313 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,1,0,0,0,0|2,0,0]=3 314 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,1,0,0,0,0|1,0,0]=2 315 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,1,0,0,0,0|1,0,0]=2 316 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,1,0,0,0,0|1,1,0]=3 317 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,1,0,0,0,0|1,1,0]=3 318 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,1,0,0,0,0|2,0,0]=3 319 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,1,0,0,0,0|2,0,0]=3 320 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,1,0,0,0,0|2,0,0]=3 321 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,1,0,0,0,0|2,0,0]=3 322 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,1,0,0,0,0|2,0,0]=3 323 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,1,0,0,0,0|2,0,0]=3 324 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [0,1,0,0,0,0|3,0,0]=4 325 B10R0.91 CCCNC(=O)NCCCCl WXVL_AK00504YV0130 [0,1,0,0,0,0|3,0,0]=4 326 B10R0.91 CCOCC(=O)NCCC#N WXVL_AK0087SB0091 [0,1,0,0,0,0|2,0,1]=4 327 B10R0.91 CCOCC(=O)NCCC#N WXVL_AK0087SB0091 [0,1,0,0,0,0|2,0,1]=4 328 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,1,0,0,0,0|2,0,0]=3 329 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,1,0,0,0,0|2,0,0]=3 330 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,1,0,0,0,0|2,0,0]=3 331 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,1,0,0,0,0|2,0,0]=3 332 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [0,1,0,0,0,0|2,1,0]=4 333 B10R0.91 CCSCC(=O)NCCCO WXVL_AK0073SB0002 [0,1,0,0,0,0|2,1,0]=4 334 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [0,1,0,0,0,0|2,1,0]=4 335 B10R0.91 CCSCC(=O)NCCSC WXVL_AK00440SB0002 [0,1,0,0,0,0|2,1,0]=4 336 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,1,0,0,0,0|3,0,0]=4 337 B10R0.91 COCCC(=O)NCCCO WXVL_AK0073SB0156 [0,1,0,0,0,0|3,0,0]=4 338 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [0,1,0,0,0,0|3,0,0]=4 339 B10R0.91 COCCC(=O)NCCSC WXVL_AK00440SB0156 [0,1,0,0,0,0|3,0,0]=4 340 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,1,0,0,0,0|3,0,0]=4 341 B10R0.91 CSCCC(=O)NCCCO WXVL_AK0073SB0361 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [0,1,0,0,0,0|3,0,0]=4 343 B10R0.91 CSCCNC(=O)CCSC WXVL_AK00440SB0361 [0,1,0,0,0,0|3,0,0]=4 344 B10R0.91 CSCCNC(=O)NCCCl WXVL_AK00440YV0092 [0,1,0,0,0,0|3,0,0]=4 345 B10R0.91 CSCCNC(=O)NCCCl WXVL_AK00440YV0092 [0,1,0,0,0,0|3,0,0]=4 346 B10R0.91 N#CCNC(=O)CCCCBr WXVL_AK0683SB3153 [0,1,0,0,0,0|2,0,1]=4 347 B10R0.91 N#CCNC(=O)CCCCBr WXVL_AK0683SB3153 [0,1,0,0,0,0|2,0,1]=4 348 B10R0.91 N#CCNC(=O)CCCCCl WXVL_AK0683SB0379 [0,1,0,0,0,0|2,0,1]=4 349 B10R0.91 N#CCNC(=O)CCCCCl WXVL_AK0683SB0379 [0,1,0,0,0,0|2,0,1]=4 350 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,1,0,0,0,0|2,0,0]=3 352 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,1,0,0,0,0|2,0,0]=3 353 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,1,0,0,0,0|2,0,0]=3 354 B10R0.91 O=C(NCCCl)NCCCO WXVL_AK0073YV0092 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.91 O=C(NCCCl)NCCCO WXVL_AK0073YV0092 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.91 O=C(NCCF)NCCCCl WXVL_AK00466YV0130 [0,1,0,0,0,0|3,0,0]=4 357 B10R0.91 O=C(NCCF)NCCCCl WXVL_AK00466YV0130 [0,1,0,0,0,0|3,0,0]=4 358 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [0,1,0,0,0,0|3,0,0]=4 359 B10R0.108 CCCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0073 [0,1,0,0,0,0|3,0,0]=4 360 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [0,1,0,0,0,0|3,0,0]=4 361 B10R0.108 CCCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0073 [0,1,0,0,0,0|3,0,0]=4 362 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [0,1,0,0,0,0|3,0,0]=4 363 B10R0.108 CCCC(=O)NC[C@H](O)CO WXVL_AK00483SB0073 [0,1,0,0,0,0|3,0,0]=4 364 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,1,0,0,0,0|2,0,1]=4 365 B10R0.108 CCNC(=O)CCC(=O)OC WXVL_AK00476SB0069 [0,1,0,0,0,0|2,0,1]=4 366 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,1,0,0,0,0|2,0,1]=4 367 B10R0.108 CCOC(=O)CNC(=O)NC WXVL_AK00442YV0151 [0,1,0,0,0,0|2,0,1]=4 368 B10R0.156 CCCCNS(=O)(=O)CCC WXVL_AK00588HU0030 [0,1,0,0,0,0|3,0,0]=4 369 B10R0.156 CCCCNS(=O)(=O)CCC WXVL_AK00588HU0030 [0,1,0,0,0,0|3,0,0]=4 370 B10R0.156 CCNS(=O)(=O)CCCCCl WXVL_AK00476HU0456 [0,1,0,0,0,0|3,0,0]=4 371 B10R0.156 CCNS(=O)(=O)CCCCCl WXVL_AK00476HU0456 [0,1,0,0,0,0|3,0,0]=4 372 B10R0.156 CCNS(=O)(=O)CCOCC WXVL_AK00476HU0315 [0,1,0,0,0,0|3,0,0]=4 373 B10R0.156 CCNS(=O)(=O)CCOCC WXVL_AK00476HU0315 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.11 C/C=C/C(=O)N1CCCC1 WXVL_AN0008SB0340 [0,0,0,1,0,0|2,0,1]=4 375 B10R1.11 C/C=C/C(=O)N1CCCC1 WXVL_AN0008SB0340 [0,0,0,1,0,0|2,0,1]=4 376 B10R1.11 CC#CC(=O)N1CCCC1 WXVL_AN0008SB1240 [0,0,0,1,0,0|2,0,1]=4 377 B10R1.11 CC#CC(=O)N1CCCC1 WXVL_AN0008SB1240 [0,0,0,1,0,0|2,0,1]=4 378 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 379 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,0]=3 380 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,0]=2 381 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,0]=2 382 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,0]=3 383 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,0]=3 384 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,0]=3 385 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,0]=3 386 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,0]=3 387 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,0]=3 388 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 389 B10R1.11 COCC(=O)N1CCCC1 WXVL_AN0008SB0090 [0,0,0,1,0,0|3,0,0]=4 390 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 391 B10R1.11 CSCC(=O)N1CCCC1 WXVL_AN0008SB1267 [0,0,0,1,0,0|3,0,0]=4 392 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [0,0,0,1,0,0|3,0,0]=4 393 B10R1.137 CCCC(=O)NC1CNC1 WXVL_AK1291SB0073 [0,0,0,1,0,0|3,0,0]=4 394 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [0,0,0,1,0,0|3,0,0]=4 395 B10R1.137 CCCC(=O)NC1CSC1 WXVL_AK2089SB0073 [0,0,0,1,0,0|3,0,0]=4 396 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,1,0,0|1,0,0]=2 397 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,1,0,0|1,0,0]=2 398 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,0,0,1,0,0|1,0,2]=4 399 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,0,0,1,0,0|1,0,2]=4 400 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,1,0,0|1,0,0]=2 401 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,1,0,0|1,0,0]=2 402 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [0,0,0,1,0,0|2,0,0]=3 403 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [0,0,0,1,0,0|2,0,0]=3 404 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [0,0,0,1,0,0|3,0,0]=4 405 B10R1.186 CSCCNC(=O)C1CC1 WXVL_AK00440SB0038 [0,0,0,1,0,0|3,0,0]=4 406 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [0,0,0,1,0,0|3,0,0]=4 407 B10R1.186 O=C(NCCCO)C1CC1 WXVL_AK0073SB0038 [0,0,0,1,0,0|3,0,0]=4 408 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 409 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 410 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 411 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 412 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 413 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 414 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [2,0,0,0,0,0|2,0,0]=4 415 B7R0.3 CCOCC(=O)NC WXVL_AK00442SB0091 [2,0,0,0,0,0|2,0,0]=4 416 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [2,0,0,0,0,0|2,0,0]=4 417 B7R0.3 CCSCC(=O)NC WXVL_AK00442SB0002 [2,0,0,0,0,0|2,0,0]=4 418 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [2,0,0,0,0,0|2,0,0]=4 419 B7R0.3 CNC(=O)CCOC WXVL_AK00442SB0156 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [2,0,0,0,0,0|2,0,0]=4 421 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [2,0,0,0,0,0|2,0,0]=4 422 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 423 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 424 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 425 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 426 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 427 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 428 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [2,0,0,0,0,0|2,0,0]=4 430 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [2,0,0,0,0,0|1,0,0]=3 431 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [2,0,0,0,0,0|1,0,0]=3 432 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [2,0,0,0,0,0|2,0,0]=4 433 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [2,0,0,0,0,0|2,0,0]=4 434 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [2,0,0,0,0,0|2,0,0]=4 435 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [2,0,0,0,0,0|2,0,0]=4 436 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [2,0,0,0,0,0|2,0,0]=4 437 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [2,0,0,0,0,0|2,0,0]=4 438 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|2,0,0]=4 439 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|2,0,0]=4 440 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|2,0,0]=4 441 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|2,0,0]=4 442 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.4 CCOCC(=O)NC(C)C WXVL_AK0030SB0091 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [1,1,0,0,0,0|2,0,0]=4 445 B9R0.4 CCSCC(=O)NC(C)C WXVL_AK0030SB0002 [1,1,0,0,0,0|2,0,0]=4 446 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [1,1,0,0,0,0|2,0,0]=4 447 B9R0.4 COCCC(=O)NC(C)C WXVL_AK0030SB0156 [1,1,0,0,0,0|2,0,0]=4 448 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [1,1,0,0,0,0|2,0,0]=4 449 B9R0.4 CSCCC(=O)NC(C)C WXVL_AK0030SB0361 [1,1,0,0,0,0|2,0,0]=4 450 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|2,0,0]=4 451 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|2,0,0]=4 452 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|2,0,0]=4 453 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|2,0,0]=4 454 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|2,0,0]=4 455 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|2,0,0]=4 457 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|2,0,0]=4 459 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|2,0,0]=4 461 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 463 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 464 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,1,0]=4 465 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,1,0]=4 466 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 468 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 469 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.18 CCSCC(=O)NCCF WXVL_AK00466SB0002 [1,1,0,0,0,0|2,0,0]=4 472 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 473 B9R0.18 COCCC(=O)NCCF WXVL_AK00466SB0156 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 475 B9R0.18 CSCCC(=O)NCCF WXVL_AK00466SB0361 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|2,0,0]=4 478 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,0]=3 479 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,0]=3 480 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,0]=3 481 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,0]=3 482 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,0]=3 483 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,0]=3 484 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 485 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 486 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [1,1,0,0,0,0|1,0,0]=3 487 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [1,1,0,0,0,0|1,0,0]=3 488 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [1,1,0,0,0,0|1,0,0]=3 489 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [1,1,0,0,0,0|1,0,0]=3 490 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [1,1,0,0,0,0|1,0,1]=4 491 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [1,1,0,0,0,0|1,0,1]=4 492 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|2,0,0]=4 493 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|2,0,0]=4 494 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 499 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 500 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,0]=3 501 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,0]=3 502 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [1,1,0,0,0,0|2,0,0]=4 503 B9R0.48 CCNC(=O)CCN(C)C WXVL_AK00476SB00052 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.48 CCNC(=O)COC(C)C WXVL_AK00476SB0213 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [1,1,0,0,0,0|2,0,0]=4 507 B9R0.66 CCCCS(=O)(=O)NCC WXVL_AK00476HU0031 [1,1,0,0,0,0|2,0,0]=4 508 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.46 CCCCCNC(=O)CC WXVL_AK0076SB0064 [1,1,0,0,0,0|2,0,0]=4 510 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [1,1,0,0,0,0|2,0,0]=4 511 B9R0.1 CC(C)CCNC(=O)CO WXVL_AK0068SB2706 [1,1,0,0,0,0|2,0,0]=4 512 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [1,1,0,0,0,0|1,0,0]=3 513 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [1,1,0,0,0,0|1,0,0]=3 514 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [1,1,0,0,0,0|2,0,0]=4 515 B9R0.1 CCC(=O)NCCN(C)C WXVL_AK0058SB0064 [1,1,0,0,0,0|2,0,0]=4 516 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [1,1,0,0,0,0|1,0,0]=3 517 B9R0.1 CNC(=O)CCCC(C)C WXVL_AK00442SB1301 [1,1,0,0,0,0|1,0,0]=3 518 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [1,1,0,0,0,0|2,0,0]=4 519 B9R0.1 CNC(=O)CCCN(C)C WXVL_AK00442SB00055 [1,1,0,0,0,0|2,0,0]=4 520 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [1,1,0,0,0,0|2,0,0]=4 521 B9R0.20 CCCCNS(=O)(=O)CC WXVL_AK00588HU0028 [1,1,0,0,0,0|2,0,0]=4 522 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [1,1,0,0,0,0|2,0,0]=4 523 B9R0.24 CCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0064 [1,1,0,0,0,0|2,0,0]=4 524 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [1,1,0,0,0,0|2,0,0]=4 525 B9R0.24 CCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0064 [1,1,0,0,0,0|2,0,0]=4 526 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [1,1,0,0,0,0|2,0,0]=4 527 B9R0.24 CCC(=O)NC[C@H](O)CO WXVL_AK00483SB0064 [1,1,0,0,0,0|2,0,0]=4 528 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [1,1,0,0,0,0|1,0,1]=4 529 B9R0.24 CNC(=O)CCC(=O)OC WXVL_AK00442SB0069 [1,1,0,0,0,0|1,0,1]=4 530 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [1,1,0,0,0,0|2,0,0]=4 531 B9R0.47 CC(C)C(=O)NCCCO WXVL_AK0073SB0052 [1,1,0,0,0,0|2,0,0]=4 532 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [1,1,0,0,0,0|2,0,0]=4 533 B9R0.47 CC(S)C(=O)NCCCO WXVL_AK0073SB2708 [1,1,0,0,0,0|2,0,0]=4 534 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [1,1,0,0,0,0|1,0,1]=4 535 B9R0.47 CCCCNC(=O)C(=O)C WXVL_AK00588SB0051 [1,1,0,0,0,0|1,0,1]=4 536 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [1,1,0,0,0,0|1,0,0]=3 537 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [1,1,0,0,0,0|1,0,0]=3 538 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [1,1,0,0,0,0|1,0,0]=3 539 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [1,1,0,0,0,0|1,0,0]=3 540 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [1,1,0,0,0,0|2,0,0]=4 541 B9R0.47 CCCCNC(=O)C(F)F WXVL_AK00588SB0079 [1,1,0,0,0,0|2,0,0]=4 542 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [1,1,0,0,0,0|1,0,0]=3 543 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [1,1,0,0,0,0|1,0,0]=3 544 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [1,1,0,0,0,0|2,0,0]=4 545 B9R0.47 CN(C)C(=O)CCCCBr WXVL_AN0032SB3153 [1,1,0,0,0,0|2,0,0]=4 546 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [1,1,0,0,0,0|2,0,0]=4 547 B9R0.47 CN(C)C(=O)CCCCCl WXVL_AN0032SB0379 [1,1,0,0,0,0|2,0,0]=4 548 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [1,1,0,0,0,0|2,0,0]=4 549 B9R0.47 CSCCNC(=O)C(C)C WXVL_AK00440SB0052 [1,1,0,0,0,0|2,0,0]=4 550 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [1,1,0,0,0,0|2,0,0]=4 551 B9R0.47 CSCCNC(=O)C(C)S WXVL_AK00440SB2708 [1,1,0,0,0,0|2,0,0]=4 552 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [1,1,0,0,0,0|2,0,0]=4 553 B9R0.47 CSCCNC(=O)[C@@H](C)O WXVL_AK00440SB1085 [1,1,0,0,0,0|2,0,0]=4 554 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [1,1,0,0,0,0|2,0,0]=4 555 B9R0.47 C[C@@H](O)C(=O)NCCCO WXVL_AK0073SB1085 [1,1,0,0,0,0|2,0,0]=4 556 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [0,2,0,0,0,0|2,0,0]=4 557 B11R0.2 CC(C)CC(=O)NCCCCO WXVL_AK0075SB0063 [0,2,0,0,0,0|2,0,0]=4 558 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [0,2,0,0,0,0|1,0,0]=3 559 B11R0.2 CC(C)NC(=O)CCCCCBr WXVL_AK0030SB2192 [0,2,0,0,0,0|1,0,0]=3 560 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [0,2,0,0,0,0|1,0,0]=3 561 B11R0.2 CC(C)NC(=O)CCCCCO WXVL_AK0030SB2973 [0,2,0,0,0,0|1,0,0]=3 562 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [0,2,0,0,0,0|2,0,0]=4 563 B11R0.2 CC(O)CC(=O)NCCCCO WXVL_AK0075SB3643 [0,2,0,0,0,0|2,0,0]=4 564 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,2,0,0,0,0|1,0,1]=4 565 B11R0.2 CCCCCNC(=O)C=C(C)C WXVL_AK0076SB0342 [0,2,0,0,0,0|1,0,1]=4 566 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [0,2,0,0,0,0|1,0,0]=3 567 B11R0.2 CCCCCNC(=O)CC(C)C WXVL_AK0076SB0063 [0,2,0,0,0,0|1,0,0]=3 568 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,2,0,0,0,0|1,0,0]=3 569 B11R0.2 CCCCCNC(=O)CC(C)O WXVL_AK0076SB3643 [0,2,0,0,0,0|1,0,0]=3 570 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [0,2,0,0,0,0|2,0,0]=4 571 B11R0.2 CCCCCNC(=O)CN(C)C WXVL_AK0076SB0085 [0,2,0,0,0,0|2,0,0]=4 572 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [0,2,0,0,0,0|2,0,0]=4 573 B11R0.2 CCSCCNC(=O)CC(C)C WXVL_AK00494SB0063 [0,2,0,0,0,0|2,0,0]=4 574 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [0,2,0,0,0,0|2,0,0]=4 575 B11R0.2 CCSCCNC(=O)CC(C)O WXVL_AK00494SB3643 [0,2,0,0,0,0|2,0,0]=4 576 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [0,2,0,0,0,0|2,0,0]=4 577 B11R0.2 COCCCNC(=O)CC(C)C WXVL_AK00637SB0063 [0,2,0,0,0,0|2,0,0]=4 578 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [0,2,0,0,0,0|2,0,0]=4 579 B11R0.2 COCCCNC(=O)CC(C)O WXVL_AK00637SB3643 [0,2,0,0,0,0|2,0,0]=4 580 B11R0.2 COCCOCC(=O)NC(C)C WXVL_AK0030SB0159 [0,2,0,0,0,0|2,0,0]=4 581 B11R0.2 COCCOCC(=O)NC(C)C WXVL_AK0030SB0159 [0,2,0,0,0,0|2,0,0]=4 582 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [0,2,0,0,0,0|2,0,0]=4 583 B11R0.2 CSCCCNC(=O)CC(C)C WXVL_AK0965SB0063 [0,2,0,0,0,0|2,0,0]=4 584 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [0,2,0,0,0,0|2,0,0]=4 585 B11R0.2 CSCCCNC(=O)CC(C)O WXVL_AK0965SB3643 [0,2,0,0,0,0|2,0,0]=4 586 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,2,0,0,0,0|1,0,1]=4 587 B11R0.4 C#CCCCCNC(=O)CCC WXVL_AK00614SB0073 [0,2,0,0,0,0|1,0,1]=4 588 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,2,0,0,0,0|1,0,1]=4 589 B11R0.4 C/C=C/C(=O)NCCCCCC WXVL_AK0286SB0340 [0,2,0,0,0,0|1,0,1]=4 590 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,2,0,0,0,0|1,0,1]=4 591 B11R0.4 C/C=C/C(=O)NCCCCCO WXVL_AK0077SB0340 [0,2,0,0,0,0|1,0,1]=4 592 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,2,0,0,0,0|1,0,1]=4 593 B11R0.4 C/C=C/C(=O)NCCCOCC WXVL_AK0072SB0340 [0,2,0,0,0,0|1,0,1]=4 594 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,2,0,0,0,0|1,0,1]=4 595 B11R0.4 CC#CC(=O)NCCCCCC WXVL_AK0286SB1240 [0,2,0,0,0,0|1,0,1]=4 596 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,2,0,0,0,0|1,0,1]=4 597 B11R0.4 CC#CC(=O)NCCCCCO WXVL_AK0077SB1240 [0,2,0,0,0,0|1,0,1]=4 598 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,2,0,0,0,0|1,0,1]=4 599 B11R0.4 CC#CC(=O)NCCCOCC WXVL_AK0072SB1240 [0,2,0,0,0,0|1,0,1]=4 600 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,2,0,0,0,0|1,0,0]=3 601 B11R0.4 CCCC(=O)NCCCCCO WXVL_AK0077SB0073 [0,2,0,0,0,0|1,0,0]=3 602 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,2,0,0,0,0|1,0,0]=3 603 B11R0.4 CCCC(=O)NCCCOCC WXVL_AK0072SB0073 [0,2,0,0,0,0|1,0,0]=3 604 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,2,0,0,0,0|2,0,0]=4 605 B11R0.4 CCCC(=O)NCCNCCO WXVL_AK0954SB0073 [0,2,0,0,0,0|2,0,0]=4 606 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,2,0,0,0,0|1,0,0]=3 607 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,2,0,0,0,0|1,0,0]=3 608 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,2,0,0,0,0|1,0,0]=3 609 B11R0.4 CCCCCCCC(=O)NCC WXVL_AK00476SB0393 [0,2,0,0,0,0|1,0,0]=3 610 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,2,0,0,0,0|1,0,0]=3 611 B11R0.4 CCCCCCNC(=O)CCC WXVL_AK0286SB0073 [0,2,0,0,0,0|1,0,0]=3 612 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,2,0,0,0,0|2,0,0]=4 613 B11R0.4 CCCCCCNC(=O)COC WXVL_AK0286SB0090 [0,2,0,0,0,0|2,0,0]=4 614 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,2,0,0,0,0|2,0,0]=4 615 B11R0.4 CCCCCCNC(=O)CSC WXVL_AK0286SB1267 [0,2,0,0,0,0|2,0,0]=4 616 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,2,0,0,0,0|1,0,0]=3 617 B11R0.4 CCNC(=O)CCCCCCBr WXVL_AK00476SB1386 [0,2,0,0,0,0|1,0,0]=3 618 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.4 CCOCCCNC(=O)COC WXVL_AK0072SB0090 [0,2,0,0,0,0|2,0,0]=4 620 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,2,0,0,0,0|2,0,0]=4 621 B11R0.4 CCOCCCNC(=O)CSC WXVL_AK0072SB1267 [0,2,0,0,0,0|2,0,0]=4 622 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,2,0,0,0,0|2,0,0]=4 623 B11R0.4 COCC(=O)NCCCCCO WXVL_AK0077SB0090 [0,2,0,0,0,0|2,0,0]=4 624 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,2,0,0,0,0|2,0,0]=4 625 B11R0.4 CSCC(=O)NCCCCCO WXVL_AK0077SB1267 [0,2,0,0,0,0|2,0,0]=4 626 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,2,0,0,0,0|0,0,1]=3 627 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,2,0,0,0,0|0,0,1]=3 628 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,2,0,0,0,0|2,0,0]=4 629 B11R0.5 CCC[C@H](C)NC(=O)CCOC WXVL_AK00682SB0156 [0,2,0,0,0,0|2,0,0]=4 630 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,2,0,0,0,0|2,0,0]=4 631 B11R0.5 CCC[C@H](C)NC(=O)CCSC WXVL_AK00682SB0361 [0,2,0,0,0,0|2,0,0]=4 632 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,2,0,0,0,0|1,0,0]=3 633 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,2,0,0,0,0|1,0,0]=3 634 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,2,0,0,0,0|1,1,0]=4 635 B11R0.5 CCC[C@H](C)NC(=O)CSCC WXVL_AK00682SB0002 [0,2,0,0,0,0|1,1,0]=4 636 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,2,0,0,0,0|2,0,0]=4 637 B11R0.5 CCC[C@H](C)NC(=O)NCCCl WXVL_AK00682YV0092 [0,2,0,0,0,0|2,0,0]=4 638 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,2,0,0,0,0|1,0,1]=4 639 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,2,0,0,0,0|1,0,1]=4 640 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,2,0,0,0,0|2,0,0]=4 641 B11R0.5 CCOCC(=O)NC(C)CCO WXVL_AK1288SB0091 [0,2,0,0,0,0|2,0,0]=4 642 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,2,0,0,0,0|2,0,0]=4 643 B11R0.5 CCOCC(=O)N[C@@H](C)COC WXVL_AK0137SB0091 [0,2,0,0,0,0|2,0,0]=4 644 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,2,0,0,0,0|2,0,0]=4 645 B11R0.5 CCOCC(=O)N[C@H](C)COC WXVL_AK00613SB0091 [0,2,0,0,0,0|2,0,0]=4 646 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,2,0,0,0,0|1,0,1]=4 647 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,2,0,0,0,0|1,0,1]=4 648 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,2,0,0,0,0|1,0,1]=4 649 B11R0.81 C#CCCC(=O)NCCCCC WXVL_AK0076SB2189 [0,2,0,0,0,0|1,0,1]=4 650 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,2,0,0,0,0|0,0,2]=4 651 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,2,0,0,0,0|0,0,2]=4 652 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,2,0,0,0,0|1,0,1]=4 653 B11R0.81 C=CCCC(=O)NCCCCC WXVL_AK0076SB1035 [0,2,0,0,0,0|1,0,1]=4 654 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,2,0,0,0,0|1,0,1]=4 655 B11R0.81 C=CCNC(=O)CCCCCBr WXVL_AK00561SB2192 [0,2,0,0,0,0|1,0,1]=4 656 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,2,0,0,0,0|1,0,1]=4 657 B11R0.81 C=CCNC(=O)CCCCCO WXVL_AK00561SB2973 [0,2,0,0,0,0|1,0,1]=4 658 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,2,0,0,0,0|1,0,1]=4 659 B11R0.81 CCCCCNC(=O)/C=C/CBr WXVL_AK0076SB0424 [0,2,0,0,0,0|1,0,1]=4 660 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,2,0,0,0,0|1,0,0]=3 661 B11R0.81 CCCCCNC(=O)CCOC WXVL_AK0076SB0156 [0,2,0,0,0,0|1,0,0]=3 662 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,2,0,0,0,0|1,0,0]=3 663 B11R0.81 CCCCCNC(=O)CCSC WXVL_AK0076SB0361 [0,2,0,0,0,0|1,0,0]=3 664 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,2,0,0,0,0|0,0,0]=2 665 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,2,0,0,0,0|0,0,0]=2 666 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,2,0,0,0,0|0,1,0]=3 667 B11R0.81 CCCCCNC(=O)CSCC WXVL_AK0076SB0002 [0,2,0,0,0,0|0,1,0]=3 668 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,2,0,0,0,0|1,0,0]=3 669 B11R0.81 CCCCCNC(=O)NCCCl WXVL_AK0076YV0092 [0,2,0,0,0,0|1,0,0]=3 670 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,2,0,0,0,0|1,0,0]=3 671 B11R0.81 CCCNC(=O)CCCCCBr WXVL_AK00504SB2192 [0,2,0,0,0,0|1,0,0]=3 672 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,2,0,0,0,0|1,0,0]=3 673 B11R0.81 CCCNC(=O)CCCCCO WXVL_AK00504SB2973 [0,2,0,0,0,0|1,0,0]=3 674 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,2,0,0,0,0|2,0,0]=4 675 B11R0.81 CCCNC(=O)COCCOC WXVL_AK00504SB0159 [0,2,0,0,0,0|2,0,0]=4 676 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,2,0,0,0,0|1,0,0]=3 677 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,2,0,0,0,0|1,0,0]=3 678 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,2,0,0,0,0|1,0,0]=3 679 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,2,0,0,0,0|1,0,0]=3 680 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,2,0,0,0,0|1,0,0]=3 681 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,2,0,0,0,0|1,0,0]=3 682 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,2,0,0,0,0|1,0,0]=3 683 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,2,0,0,0,0|1,0,0]=3 684 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,2,0,0,0,0|1,1,0]=4 685 B11R0.81 CCSCC(=O)NCCCCO WXVL_AK0075SB0002 [0,2,0,0,0,0|1,1,0]=4 686 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,2,0,0,0,0|1,1,0]=4 687 B11R0.81 CCSCC(=O)NCCCOC WXVL_AK00637SB0002 [0,2,0,0,0,0|1,1,0]=4 688 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,2,0,0,0,0|1,1,0]=4 689 B11R0.81 CCSCC(=O)NCCCSC WXVL_AK0965SB0002 [0,2,0,0,0,0|1,1,0]=4 690 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,2,0,0,0,0|2,0,0]=4 691 B11R0.81 CCSCCNC(=O)CCOC WXVL_AK00494SB0156 [0,2,0,0,0,0|2,0,0]=4 692 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,2,0,0,0,0|2,0,0]=4 693 B11R0.81 CCSCCNC(=O)CCSC WXVL_AK00494SB0361 [0,2,0,0,0,0|2,0,0]=4 694 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,2,0,0,0,0|1,1,0]=4 695 B11R0.81 CCSCCNC(=O)CSCC WXVL_AK00494SB0002 [0,2,0,0,0,0|1,1,0]=4 696 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,2,0,0,0,0|2,0,0]=4 697 B11R0.81 CCSCCNC(=O)NCCCl WXVL_AK00494YV0092 [0,2,0,0,0,0|2,0,0]=4 698 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,2,0,0,0,0|2,0,0]=4 699 B11R0.81 COCCC(=O)NCCCCO WXVL_AK0075SB0156 [0,2,0,0,0,0|2,0,0]=4 700 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,2,0,0,0,0|2,0,0]=4 701 B11R0.81 COCCC(=O)NCCCSC WXVL_AK0965SB0156 [0,2,0,0,0,0|2,0,0]=4 702 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,2,0,0,0,0|2,0,0]=4 703 B11R0.81 COCCCNC(=O)CCOC WXVL_AK00637SB0156 [0,2,0,0,0,0|2,0,0]=4 704 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,2,0,0,0,0|2,0,0]=4 705 B11R0.81 COCCCNC(=O)CCSC WXVL_AK00637SB0361 [0,2,0,0,0,0|2,0,0]=4 706 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,2,0,0,0,0|2,0,0]=4 707 B11R0.81 COCCCNC(=O)NCCCl WXVL_AK00637YV0092 [0,2,0,0,0,0|2,0,0]=4 708 B11R0.81 COCCOCC(=O)NCCF WXVL_AK00466SB0159 [0,2,0,0,0,0|2,0,0]=4 709 B11R0.81 COCCOCC(=O)NCCF WXVL_AK00466SB0159 [0,2,0,0,0,0|2,0,0]=4 710 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,2,0,0,0,0|2,0,0]=4 711 B11R0.81 CSCCC(=O)NCCCCO WXVL_AK0075SB0361 [0,2,0,0,0,0|2,0,0]=4 712 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,2,0,0,0,0|2,0,0]=4 713 B11R0.81 CSCCCNC(=O)CCSC WXVL_AK0965SB0361 [0,2,0,0,0,0|2,0,0]=4 714 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,2,0,0,0,0|2,0,0]=4 715 B11R0.81 CSCCCNC(=O)NCCCl WXVL_AK0965YV0092 [0,2,0,0,0,0|2,0,0]=4 716 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,2,0,0,0,0|1,0,1]=4 717 B11R0.81 N#CCNC(=O)CCCCCBr WXVL_AK0683SB2192 [0,2,0,0,0,0|1,0,1]=4 718 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,2,0,0,0,0|1,0,1]=4 719 B11R0.81 N#CCNC(=O)CCCCCO WXVL_AK0683SB2973 [0,2,0,0,0,0|1,0,1]=4 720 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,2,0,0,0,0|1,0,0]=3 721 B11R0.81 O=C(CCCCCBr)NCCF WXVL_AK00466SB2192 [0,2,0,0,0,0|1,0,0]=3 722 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,2,0,0,0,0|1,0,0]=3 723 B11R0.81 O=C(CCCCCO)NCCF WXVL_AK00466SB2973 [0,2,0,0,0,0|1,0,0]=3 724 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,2,0,0,0,0|2,0,0]=4 725 B11R0.81 O=C(NCCCl)NCCCCO WXVL_AK0075YV0092 [0,2,0,0,0,0|2,0,0]=4 726 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,2,0,0,0,0|1,0,1]=4 727 B11R0.142 C/C=C(\C)/C(=O)NCCCCC WXVL_AK0076SB0343 [0,2,0,0,0,0|1,0,1]=4 728 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,2,0,0,0,0|2,0,0]=4 729 B11R0.142 CCC(=O)C(=O)NCCCCO WXVL_AK0075SB0344 [0,2,0,0,0,0|2,0,0]=4 730 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,2,0,0,0,0|2,0,0]=4 731 B11R0.142 CCC(=O)C(=O)NCCCOC WXVL_AK00637SB0344 [0,2,0,0,0,0|2,0,0]=4 732 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,2,0,0,0,0|2,0,0]=4 733 B11R0.142 CCC(=O)C(=O)NCCCSC WXVL_AK0965SB0344 [0,2,0,0,0,0|2,0,0]=4 734 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [0,2,0,0,0,0|2,0,0]=4 735 B11R0.142 CCC(C)C(=O)NCCCCO WXVL_AK0075SB0054 [0,2,0,0,0,0|2,0,0]=4 736 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [0,2,0,0,0,0|2,0,0]=4 737 B11R0.142 CCC(C)C(=O)NCCCOC WXVL_AK00637SB0054 [0,2,0,0,0,0|2,0,0]=4 738 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [0,2,0,0,0,0|2,0,0]=4 739 B11R0.142 CCC(C)C(=O)NCCCSC WXVL_AK0965SB0054 [0,2,0,0,0,0|2,0,0]=4 740 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,2,0,0,0,0|1,0,0]=3 741 B11R0.142 CCCCCNC(=O)C(=O)CC WXVL_AK0076SB0344 [0,2,0,0,0,0|1,0,0]=3 742 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [0,2,0,0,0,0|1,0,0]=3 743 B11R0.142 CCCCCNC(=O)C(C)CC WXVL_AK0076SB0054 [0,2,0,0,0,0|1,0,0]=3 744 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,2,0,0,0,0|2,0,0]=4 745 B11R0.142 CCCCCNC(=O)[C@@H](C)OC WXVL_AK0076SB2926 [0,2,0,0,0,0|2,0,0]=4 746 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [0,2,0,0,0,0|1,0,0]=3 747 B11R0.142 CCCCCNC(=O)[C@@H](O)CC WXVL_AK0076SB3573 [0,2,0,0,0,0|1,0,0]=3 748 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [0,2,0,0,0,0|1,0,0]=3 749 B11R0.142 CCCCCNC(=O)[C@H](C)CC WXVL_AK0076SB00054 [0,2,0,0,0,0|1,0,0]=3 750 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,2,0,0,0,0|2,0,0]=4 751 B11R0.142 CCSCCNC(=O)C(=O)CC WXVL_AK00494SB0344 [0,2,0,0,0,0|2,0,0]=4 752 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [0,2,0,0,0,0|2,0,0]=4 753 B11R0.142 CCSCCNC(=O)C(C)CC WXVL_AK00494SB0054 [0,2,0,0,0,0|2,0,0]=4 754 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [0,2,0,0,0,0|2,0,0]=4 755 B11R0.142 CCSCCNC(=O)[C@@H](O)CC WXVL_AK00494SB3573 [0,2,0,0,0,0|2,0,0]=4 756 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [0,2,0,0,0,0|2,0,0]=4 757 B11R0.142 CCSCCNC(=O)[C@H](C)CC WXVL_AK00494SB00054 [0,2,0,0,0,0|2,0,0]=4 758 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [0,2,0,0,0,0|2,0,0]=4 759 B11R0.142 CC[C@@H](C)C(=O)NCCCCO WXVL_AK0075SB00054 [0,2,0,0,0,0|2,0,0]=4 760 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [0,2,0,0,0,0|2,0,0]=4 761 B11R0.142 CC[C@@H](C)C(=O)NCCCOC WXVL_AK00637SB00054 [0,2,0,0,0,0|2,0,0]=4 762 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [0,2,0,0,0,0|2,0,0]=4 763 B11R0.142 CC[C@@H](C)C(=O)NCCCSC WXVL_AK0965SB00054 [0,2,0,0,0,0|2,0,0]=4 764 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [0,2,0,0,0,0|2,0,0]=4 765 B11R0.142 CC[C@H](O)C(=O)NCCCCO WXVL_AK0075SB3573 [0,2,0,0,0,0|2,0,0]=4 766 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [0,2,0,0,0,0|2,0,0]=4 767 B11R0.142 CC[C@H](O)C(=O)NCCCOC WXVL_AK00637SB3573 [0,2,0,0,0,0|2,0,0]=4 768 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [0,2,0,0,0,0|2,0,0]=4 769 B11R0.142 CC[C@H](O)C(=O)NCCCSC WXVL_AK0965SB3573 [0,2,0,0,0,0|2,0,0]=4 770 B11R0.155 CC/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0037 [0,2,0,0,0,0|2,0,0]=4 771 B11R0.155 CC/C=C(\C)/C(=O)NCCCC WXVL_AK00588SB0037 [0,2,0,0,0,0|2,0,0]=4 772 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|1,0,0]=3 773 B11R0.155 CCCCCC(C)C(=O)NCC WXVL_AK00476SB0394 [0,2,0,0,0,0|1,0,0]=3 774 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|0,0,1]=3 775 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|0,0,1]=3 776 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|2,0,0]=4 777 B11R0.155 CCCCNC(=O)C(C)CCC WXVL_AK00588SB0352 [0,2,0,0,0,0|2,0,0]=4 778 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|2,0,0]=4 779 B11R0.155 CCCCNC(=O)[C@@H](O)CCC WXVL_AK00588SB3627 [0,2,0,0,0,0|2,0,0]=4 780 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,1]=4 781 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,1]=4 782 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,1]=4 783 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,1]=4 784 B11R0.155 CN(CCO)C(=O)CCCCBr WXVL_AN2670SB3153 [0,2,0,0,0,0|2,0,0]=4 785 B11R0.155 CN(CCO)C(=O)CCCCBr WXVL_AN2670SB3153 [0,2,0,0,0,0|2,0,0]=4 786 B11R0.155 CN(CCO)C(=O)CCCCCl WXVL_AN2670SB0379 [0,2,0,0,0,0|2,0,0]=4 787 B11R0.155 CN(CCO)C(=O)CCCCCl WXVL_AN2670SB0379 [0,2,0,0,0,0|2,0,0]=4 788 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [0,2,0,0,0,0|2,0,0]=4 789 B11R0.174 CCCC(=O)NCCC(C)CO WXVL_AK4143SB0073 [0,2,0,0,0,0|2,0,0]=4 790 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,2,0,0,0,0|0,0,1]=3 791 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,2,0,0,0,0|0,0,1]=3 792 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,2,0,0,0,0|1,0,1]=4 793 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,2,0,0,0,0|1,0,1]=4 794 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [0,2,0,0,0,0|2,0,0]=4 795 B11R0.176 CCCC(=O)NCCOC(C)C WXVL_AK0128SB0073 [0,2,0,0,0,0|2,0,0]=4 796 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [0,2,0,0,0,0|2,0,0]=4 797 B11R0.304 CCCCCNS(=O)(=O)CCC WXVL_AK0076HU0030 [0,2,0,0,0,0|2,0,0]=4 798 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,2,0,0,0,0|2,0,0]=4 799 B11R0.1 CCC[C@H](C)NC(=O)CC(C)C WXVL_AK00682SB0063 [0,2,0,0,0,0|2,0,0]=4 800 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,2,0,0,0,0|2,0,0]=4 801 B11R0.1 CCC[C@H](C)NC(=O)CC(C)O WXVL_AK00682SB3643 [0,2,0,0,0,0|2,0,0]=4 802 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,2,0,0,0,0|1,0,1]=4 803 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,2,0,0,0,0|1,0,1]=4 804 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,2,0,0,0,0|2,0,0]=4 805 B11R0.182 CCCC(=O)N[C@H](CO)CCC WXVL_AK2551SB0073 [0,2,0,0,0,0|2,0,0]=4 806 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,2,0,0,0,0|2,0,0]=4 807 B11R0.187 CCC[C@H](C)NC(=O)C(=O)CC WXVL_AK00682SB0344 [0,2,0,0,0,0|2,0,0]=4 808 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,2,0,0,0,0|2,0,0]=4 809 B11R0.187 CCC[C@H](C)NC(=O)C(C)CC WXVL_AK00682SB0054 [0,2,0,0,0,0|2,0,0]=4 810 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,2,0,0,0,0|2,0,0]=4 811 B11R0.187 CCC[C@H](C)NC(=O)[C@@H](O)CC WXVL_AK00682SB3573 [0,2,0,0,0,0|2,0,0]=4 812 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,2,0,0,0,0|2,0,0]=4 813 B11R0.187 CCC[C@H](C)NC(=O)[C@H](C)CC WXVL_AK00682SB00054 [0,2,0,0,0,0|2,0,0]=4 814 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,2,0,0,0,0|2,0,0]=4 815 B11R0.353 CCNS(=O)(=O)CC(=O)OCC WXVL_AK00476HU0462 [0,2,0,0,0,0|2,0,0]=4 816 B11R0.6 CC(C)CCCC(=O)NC(C)C WXVL_AK0030SB1301 [0,2,0,0,0,0|1,0,0]=3 817 B11R0.6 CC(C)CCCC(=O)NC(C)C WXVL_AK0030SB1301 [0,2,0,0,0,0|1,0,0]=3 818 B11R0.6 CC(C)CCNC(=O)CC(C)C WXVL_AK0068SB0063 [0,2,0,0,0,0|2,0,0]=4 819 B11R0.6 CC(C)CCNC(=O)CC(C)C WXVL_AK0068SB0063 [0,2,0,0,0,0|2,0,0]=4 820 B11R0.6 CC(C)CCNC(=O)CC(C)O WXVL_AK0068SB3643 [0,2,0,0,0,0|2,0,0]=4 821 B11R0.6 CC(C)CCNC(=O)CC(C)O WXVL_AK0068SB3643 [0,2,0,0,0,0|2,0,0]=4 822 B11R0.6 CC(C)NC(=O)CCCN(C)C WXVL_AK0030SB00055 [0,2,0,0,0,0|2,0,0]=4 823 B11R0.6 CC(C)NC(=O)CCCN(C)C WXVL_AK0030SB00055 [0,2,0,0,0,0|2,0,0]=4 824 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,1]=4 825 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,1]=4 826 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,1]=4 827 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,1]=4 828 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,1]=4 829 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,1]=4 830 B11R0.145 CCC(=O)C(=O)NCCC(C)C WXVL_AK0068SB0344 [0,2,0,0,0,0|2,0,0]=4 831 B11R0.145 CCC(=O)C(=O)NCCC(C)C WXVL_AK0068SB0344 [0,2,0,0,0,0|2,0,0]=4 832 B11R0.145 CCC(C)C(=O)NCCC(C)C WXVL_AK0068SB0054 [0,2,0,0,0,0|2,0,0]=4 833 B11R0.145 CCC(C)C(=O)NCCC(C)C WXVL_AK0068SB0054 [0,2,0,0,0,0|2,0,0]=4 834 B11R0.145 CC[C@@H](C)C(=O)NCCC(C)C WXVL_AK0068SB00054 [0,2,0,0,0,0|2,0,0]=4 835 B11R0.145 CC[C@@H](C)C(=O)NCCC(C)C WXVL_AK0068SB00054 [0,2,0,0,0,0|2,0,0]=4 836 B11R0.145 CC[C@H](O)C(=O)NCCC(C)C WXVL_AK0068SB3573 [0,2,0,0,0,0|2,0,0]=4 837 B11R0.145 CC[C@H](O)C(=O)NCCC(C)C WXVL_AK0068SB3573 [0,2,0,0,0,0|2,0,0]=4 838 B11R0.147 C=CCNC(=O)CCCC(C)C WXVL_AK00561SB1301 [0,2,0,0,0,0|1,0,1]=4 839 B11R0.147 C=CCNC(=O)CCCC(C)C WXVL_AK00561SB1301 [0,2,0,0,0,0|1,0,1]=4 840 B11R0.147 CC(C)CCCC(=O)NCC#N WXVL_AK0683SB1301 [0,2,0,0,0,0|1,0,1]=4 841 B11R0.147 CC(C)CCCC(=O)NCC#N WXVL_AK0683SB1301 [0,2,0,0,0,0|1,0,1]=4 842 B11R0.147 CC(C)CCCC(=O)NCCF WXVL_AK00466SB1301 [0,2,0,0,0,0|1,0,0]=3 843 B11R0.147 CC(C)CCCC(=O)NCCF WXVL_AK00466SB1301 [0,2,0,0,0,0|1,0,0]=3 844 B11R0.147 CC(C)CCNC(=O)NCCCl WXVL_AK0068YV0092 [0,2,0,0,0,0|2,0,0]=4 845 B11R0.147 CC(C)CCNC(=O)NCCCl WXVL_AK0068YV0092 [0,2,0,0,0,0|2,0,0]=4 846 B11R0.147 CCCNC(=O)CCCC(C)C WXVL_AK00504SB1301 [0,2,0,0,0,0|1,0,0]=3 847 B11R0.147 CCCNC(=O)CCCC(C)C WXVL_AK00504SB1301 [0,2,0,0,0,0|1,0,0]=3 848 B11R0.147 CCCNC(=O)CCCN(C)C WXVL_AK00504SB00055 [0,2,0,0,0,0|2,0,0]=4 849 B11R0.147 CCCNC(=O)CCCN(C)C WXVL_AK00504SB00055 [0,2,0,0,0,0|2,0,0]=4 850 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [0,2,0,0,0,0|1,0,0]=3 851 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [0,2,0,0,0,0|1,0,0]=3 852 B11R0.147 CCOCC(=O)NCCN(C)C WXVL_AK0058SB0091 [0,2,0,0,0,0|2,0,0]=4 853 B11R0.147 CCOCC(=O)NCCN(C)C WXVL_AK0058SB0091 [0,2,0,0,0,0|2,0,0]=4 854 B11R0.147 CCSCC(=O)NCCC(C)C WXVL_AK0068SB0002 [0,2,0,0,0,0|1,1,0]=4 855 B11R0.147 CCSCC(=O)NCCC(C)C WXVL_AK0068SB0002 [0,2,0,0,0,0|1,1,0]=4 856 B11R0.147 CN(C)CCCC(=O)NCCF WXVL_AK00466SB00055 [0,2,0,0,0,0|2,0,0]=4 857 B11R0.147 CN(C)CCCC(=O)NCCF WXVL_AK00466SB00055 [0,2,0,0,0,0|2,0,0]=4 858 B11R0.147 COCCC(=O)NCCC(C)C WXVL_AK0068SB0156 [0,2,0,0,0,0|2,0,0]=4 859 B11R0.147 COCCC(=O)NCCC(C)C WXVL_AK0068SB0156 [0,2,0,0,0,0|2,0,0]=4 860 B11R0.147 CSCCC(=O)NCCC(C)C WXVL_AK0068SB0361 [0,2,0,0,0,0|2,0,0]=4 861 B11R0.147 CSCCC(=O)NCCC(C)C WXVL_AK0068SB0361 [0,2,0,0,0,0|2,0,0]=4 862 B11R0.180 CCCC(=O)NCCC(C)(C)O WXVL_AK1558SB0073 [0,2,0,0,0,0|2,0,0]=4 863 B11R0.180 CCCC(=O)NCCC(C)(C)O WXVL_AK1558SB0073 [0,2,0,0,0,0|2,0,0]=4 864 B11R0.180 CCNC(=O)CCCC(F)(F)F WXVL_AK00476SB1398 [0,2,0,0,0,0|2,0,0]=4 865 B11R0.180 CCNC(=O)CCCC(F)(F)F WXVL_AK00476SB1398 [0,2,0,0,0,0|2,0,0]=4 866 B11R0.68 CCCCC(O)C(=O)NC(C)C WXVL_AK0030SB3429 [0,2,0,0,0,0|1,0,0]=3 867 B11R0.68 CCCCC(O)C(=O)NC(C)C WXVL_AK0030SB3429 [0,2,0,0,0,0|1,0,0]=3 868 B11R0.139 CC(C)N(C)C(=O)CCCCBr WXVL_AN0073SB3153 [0,2,0,0,0,0|2,0,0]=4 869 B11R0.139 CC(C)N(C)C(=O)CCCCBr WXVL_AN0073SB3153 [0,2,0,0,0,0|2,0,0]=4 870 B11R0.139 CC(C)N(C)C(=O)CCCCCl WXVL_AN0073SB0379 [0,2,0,0,0,0|2,0,0]=4 871 B11R0.139 CC(C)N(C)C(=O)CCCCCl WXVL_AN0073SB0379 [0,2,0,0,0,0|2,0,0]=4 872 B11R0.139 CCCCNC(=O)C(=O)C(C)C WXVL_AK00588SB2578 [0,2,0,0,0,0|2,0,0]=4 873 B11R0.139 CCCCNC(=O)C(=O)C(C)C WXVL_AK00588SB2578 [0,2,0,0,0,0|2,0,0]=4 874 B11R0.139 CCCCNC(=O)C(O)C(C)C WXVL_AK00588SB1147 [0,2,0,0,0,0|2,0,0]=4 875 B11R0.139 CCCCNC(=O)C(O)C(C)C WXVL_AK00588SB1147 [0,2,0,0,0,0|2,0,0]=4 876 B11R0.154 C#C[C@@H](C)NC(=O)CCCCBr WXVL_AK00735SB3153 [0,2,0,0,0,0|2,0,0]=4 877 B11R0.154 C#C[C@@H](C)NC(=O)CCCCBr WXVL_AK00735SB3153 [0,2,0,0,0,0|2,0,0]=4 878 B11R0.154 C#C[C@@H](C)NC(=O)CCCCCl WXVL_AK00735SB0379 [0,2,0,0,0,0|2,0,0]=4 879 B11R0.154 C#C[C@@H](C)NC(=O)CCCCCl WXVL_AK00735SB0379 [0,2,0,0,0,0|2,0,0]=4 880 B11R0.154 C=CC(C)NC(=O)CCCCBr WXVL_AK00769SB3153 [0,2,0,0,0,0|2,0,0]=4 881 B11R0.154 C=CC(C)NC(=O)CCCCBr WXVL_AK00769SB3153 [0,2,0,0,0,0|2,0,0]=4 882 B11R0.154 C=CC(C)NC(=O)CCCCCl WXVL_AK00769SB0379 [0,2,0,0,0,0|2,0,0]=4 883 B11R0.154 C=CC(C)NC(=O)CCCCCl WXVL_AK00769SB0379 [0,2,0,0,0,0|2,0,0]=4 884 B11R0.154 CC(C#N)NC(=O)CCCCBr WXVL_AK00810SB3153 [0,2,0,0,0,0|2,0,0]=4 885 B11R0.154 CC(C#N)NC(=O)CCCCBr WXVL_AK00810SB3153 [0,2,0,0,0,0|2,0,0]=4 886 B11R0.154 CC(C#N)NC(=O)CCCCCl WXVL_AK00810SB0379 [0,2,0,0,0,0|2,0,0]=4 887 B11R0.154 CC(C#N)NC(=O)CCCCCl WXVL_AK00810SB0379 [0,2,0,0,0,0|2,0,0]=4 888 B11R0.154 CCCCNC(=O)CC(C)CC WXVL_AK00588SB0353 [0,2,0,0,0,0|2,0,0]=4 889 B11R0.154 CCCCNC(=O)CC(C)CC WXVL_AK00588SB0353 [0,2,0,0,0,0|2,0,0]=4 890 B11R0.154 CCCCNC(=O)CC(O)CC WXVL_AK00588SB4092 [0,2,0,0,0,0|2,0,0]=4 891 B11R0.154 CCCCNC(=O)CC(O)CC WXVL_AK00588SB4092 [0,2,0,0,0,0|2,0,0]=4 892 B11R0.154 CCCCNC(=O)C[C@H](C)CC WXVL_AK00588SB8650 [0,2,0,0,0,0|2,0,0]=4 893 B11R0.154 CCCCNC(=O)C[C@H](C)CC WXVL_AK00588SB8650 [0,2,0,0,0,0|2,0,0]=4 894 B11R0.154 CC[C@H](C)NC(=O)CCCCBr WXVL_AK00678SB3153 [0,2,0,0,0,0|2,0,0]=4 895 B11R0.154 CC[C@H](C)NC(=O)CCCCBr WXVL_AK00678SB3153 [0,2,0,0,0,0|2,0,0]=4 896 B11R0.154 CC[C@H](C)NC(=O)CCCCCl WXVL_AK00678SB0379 [0,2,0,0,0,0|2,0,0]=4 897 B11R0.154 CC[C@H](C)NC(=O)CCCCCl WXVL_AK00678SB0379 [0,2,0,0,0,0|2,0,0]=4 898 B11R0.154 C[C@@H](CF)NC(=O)CCCCBr WXVL_AK00558SB3153 [0,2,0,0,0,0|2,0,0]=4 899 B11R0.154 C[C@@H](CF)NC(=O)CCCCBr WXVL_AK00558SB3153 [0,2,0,0,0,0|2,0,0]=4 900 B11R0.154 C[C@@H](CF)NC(=O)CCCCCl WXVL_AK00558SB0379 [0,2,0,0,0,0|2,0,0]=4 901 B11R0.154 C[C@@H](CF)NC(=O)CCCCCl WXVL_AK00558SB0379 [0,2,0,0,0,0|2,0,0]=4 902 B11R0.154 C[C@@H](CO)NC(=O)CCCCBr WXVL_AK0109SB3153 [0,2,0,0,0,0|2,0,0]=4 903 B11R0.154 C[C@@H](CO)NC(=O)CCCCBr WXVL_AK0109SB3153 [0,2,0,0,0,0|2,0,0]=4 904 B11R0.154 C[C@@H](CO)NC(=O)CCCCCl WXVL_AK0109SB0379 [0,2,0,0,0,0|2,0,0]=4 905 B11R0.154 C[C@@H](CO)NC(=O)CCCCCl WXVL_AK0109SB0379 [0,2,0,0,0,0|2,0,0]=4 906 B11R0.165 CC(C)(C)NC(=O)CCCCBr WXVL_AK0024SB3153 [0,2,0,0,0,0|2,0,0]=4 907 B11R0.165 CC(C)(C)NC(=O)CCCCBr WXVL_AK0024SB3153 [0,2,0,0,0,0|2,0,0]=4 908 B11R0.165 CC(C)(C)NC(=O)CCCCCl WXVL_AK0024SB0379 [0,2,0,0,0,0|2,0,0]=4 909 B11R0.165 CC(C)(C)NC(=O)CCCCCl WXVL_AK0024SB0379 [0,2,0,0,0,0|2,0,0]=4 910 B11R0.165 CCCCNC(=O)CC(C)(C)C WXVL_AK00588SB0062 [0,2,0,0,0,0|2,0,0]=4 911 B11R0.165 CCCCNC(=O)CC(C)(C)C WXVL_AK00588SB0062 [0,2,0,0,0,0|2,0,0]=4 912 B11R0.165 CCCCNC(=O)CC(C)(C)O WXVL_AK00588SB0163 [0,2,0,0,0,0|2,0,0]=4 913 B11R0.165 CCCCNC(=O)CC(C)(C)O WXVL_AK00588SB0163 [0,2,0,0,0,0|2,0,0]=4 914 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [0,2,0,0,0,0|1,0,1]=4 915 B11R0.11 C=CCNC(=O)C(O)CCCC WXVL_AK00561SB3429 [0,2,0,0,0,0|1,0,1]=4 916 B11R0.11 CCCCC(O)C(=O)NCC#N WXVL_AK0683SB3429 [0,2,0,0,0,0|1,0,1]=4 917 B11R0.11 CCCCC(O)C(=O)NCC#N WXVL_AK0683SB3429 [0,2,0,0,0,0|1,0,1]=4 918 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|1,0,0]=3 919 B11R0.11 CCCCC(O)C(=O)NCCC WXVL_AK00504SB3429 [0,2,0,0,0,0|1,0,0]=3 920 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,2,0,0,0,0|1,0,0]=3 921 B11R0.11 CCCCC(O)C(=O)NCCF WXVL_AK00466SB3429 [0,2,0,0,0,0|1,0,0]=3 922 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|2,0,0]=4 923 B11R0.11 CCOCC(=O)N(C)CCOC WXVL_AN0085SB0091 [0,2,0,0,0,0|2,0,0]=4 924 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,1]=4 925 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,1]=4 926 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [0,2,0,0,0,0|1,0,1]=4 927 B11R0.43 CCOC(=O)[C@H](C)NC(=O)CC WXVL_AK1648SB0064 [0,2,0,0,0,0|1,0,1]=4 928 B11R0.87 CCCCNC(=O)C(C)(C)CC WXVL_AK00588SB0355 [0,2,0,0,0,0|2,0,0]=4 929 B11R0.87 CCCCNC(=O)C(C)(C)CC WXVL_AK00588SB0355 [0,2,0,0,0,0|2,0,0]=4 930 B11R0.87 CCCCNC(=O)C(C)(O)CC WXVL_AK00588SB3009 [0,2,0,0,0,0|2,0,0]=4 931 B11R0.87 CCCCNC(=O)C(C)(O)CC WXVL_AK00588SB3009 [0,2,0,0,0,0|2,0,0]=4 932 B11R0.157 CCCCNC(=O)C(CC)CC WXVL_AK00588SB0055 [0,2,0,0,0,0|2,0,0]=4 933 B11R0.157 CCCCNC(=O)C(CC)CC WXVL_AK00588SB0055 [0,2,0,0,0,0|2,0,0]=4 934 B11R0.157 CCN(CC)C(=O)CCCCBr WXVL_AN0042SB3153 [0,2,0,0,0,0|2,0,0]=4 935 B11R0.157 CCN(CC)C(=O)CCCCBr WXVL_AN0042SB3153 [0,2,0,0,0,0|2,0,0]=4 936 B11R0.157 CCN(CC)C(=O)CCCCCl WXVL_AN0042SB0379 [0,2,0,0,0,0|2,0,0]=4 937 B11R0.157 CCN(CC)C(=O)CCCCCl WXVL_AN0042SB0379 [0,2,0,0,0,0|2,0,0]=4 938 B11R0.46 C=C(C)CNC(=O)CCCCBr WXVL_AK0761SB3153 [0,2,0,0,0,0|2,0,0]=4 939 B11R0.46 C=C(C)CNC(=O)CCCCBr WXVL_AK0761SB3153 [0,2,0,0,0,0|2,0,0]=4 940 B11R0.46 C=C(C)CNC(=O)CCCCCl WXVL_AK0761SB0379 [0,2,0,0,0,0|2,0,0]=4 941 B11R0.46 C=C(C)CNC(=O)CCCCCl WXVL_AK0761SB0379 [0,2,0,0,0,0|2,0,0]=4 942 B11R0.46 CC(C)CNC(=O)CCCCBr WXVL_AK00544SB3153 [0,2,0,0,0,0|2,0,0]=4 943 B11R0.46 CC(C)CNC(=O)CCCCBr WXVL_AK00544SB3153 [0,2,0,0,0,0|2,0,0]=4 944 B11R0.46 CC(C)CNC(=O)CCCCCl WXVL_AK00544SB0379 [0,2,0,0,0,0|2,0,0]=4 945 B11R0.46 CC(C)CNC(=O)CCCCCl WXVL_AK00544SB0379 [0,2,0,0,0,0|2,0,0]=4 946 B11R0.46 CC(C)OCC(=O)NCCCO WXVL_AK0073SB0213 [0,2,0,0,0,0|2,0,0]=4 947 B11R0.46 CC(C)OCC(=O)NCCCO WXVL_AK0073SB0213 [0,2,0,0,0,0|2,0,0]=4 948 B11R0.46 CC(O)CNC(=O)CCCCBr WXVL_AK0052SB3153 [0,2,0,0,0,0|2,0,0]=4 949 B11R0.46 CC(O)CNC(=O)CCCCBr WXVL_AK0052SB3153 [0,2,0,0,0,0|2,0,0]=4 950 B11R0.46 CC(O)CNC(=O)CCCCCl WXVL_AK0052SB0379 [0,2,0,0,0,0|2,0,0]=4 951 B11R0.46 CC(O)CNC(=O)CCCCCl WXVL_AK0052SB0379 [0,2,0,0,0,0|2,0,0]=4 952 B11R0.46 CCCCNC(=O)/C=C/C(C)C WXVL_AK00588SB0036 [0,2,0,0,0,0|2,0,0]=4 953 B11R0.46 CCCCNC(=O)/C=C/C(C)C WXVL_AK00588SB0036 [0,2,0,0,0,0|2,0,0]=4 954 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [0,2,0,0,0,0|2,0,0]=4 955 B11R0.46 CCCCNC(=O)CCC(=O)C WXVL_AK00588SB0072 [0,2,0,0,0,0|2,0,0]=4 956 B11R0.46 CCCCNC(=O)CCC(C)C WXVL_AK00588SB0354 [0,2,0,0,0,0|2,0,0]=4 957 B11R0.46 CCCCNC(=O)CCC(C)C WXVL_AK00588SB0354 [0,2,0,0,0,0|2,0,0]=4 958 B11R0.46 CCCCNC(=O)CCN(C)C WXVL_AK00588SB00052 [0,2,0,0,0,0|2,0,0]=4 959 B11R0.46 CCCCNC(=O)CCN(C)C WXVL_AK00588SB00052 [0,2,0,0,0,0|2,0,0]=4 960 B11R0.46 CCCCNC(=O)COC(=O)C WXVL_AK00588SB2824 [0,2,0,0,0,0|1,0,1]=4 961 B11R0.46 CCCCNC(=O)COC(=O)C WXVL_AK00588SB2824 [0,2,0,0,0,0|1,0,1]=4 962 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [0,2,0,0,0,0|1,0,0]=3 963 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [0,2,0,0,0,0|1,0,0]=3 964 B11R0.46 CSCCNC(=O)COC(C)C WXVL_AK00440SB0213 [0,2,0,0,0,0|2,0,0]=4 965 B11R0.46 CSCCNC(=O)COC(C)C WXVL_AK00440SB0213 [0,2,0,0,0,0|2,0,0]=4 966 B11R0.46 C[C@H](O)CNC(=O)CCCCBr WXVL_AK0113SB3153 [0,2,0,0,0,0|2,0,0]=4 967 B11R0.46 C[C@H](O)CNC(=O)CCCCBr WXVL_AK0113SB3153 [0,2,0,0,0,0|2,0,0]=4 968 B11R0.46 C[C@H](O)CNC(=O)CCCCCl WXVL_AK0113SB0379 [0,2,0,0,0,0|2,0,0]=4 969 B11R0.46 C[C@H](O)CNC(=O)CCCCCl WXVL_AK0113SB0379 [0,2,0,0,0,0|2,0,0]=4 970 B11R0.46 O=C(CCCCBr)NCC(F)F WXVL_AK0136SB3153 [0,2,0,0,0,0|2,0,0]=4 971 B11R0.46 O=C(CCCCBr)NCC(F)F WXVL_AK0136SB3153 [0,2,0,0,0,0|2,0,0]=4 972 B11R0.46 O=C(CCCCCl)NCC(F)F WXVL_AK0136SB0379 [0,2,0,0,0,0|2,0,0]=4 973 B11R0.46 O=C(CCCCCl)NCC(F)F WXVL_AK0136SB0379 [0,2,0,0,0,0|2,0,0]=4 974 B11R0.70 CCOCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0091 [0,2,0,0,0,0|2,0,0]=4 975 B11R0.70 CCOCC(=O)NC[C@@H](C)OC WXVL_AK00704SB0091 [0,2,0,0,0,0|2,0,0]=4 976 B11R0.70 CCOCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0091 [0,2,0,0,0,0|2,0,0]=4 977 B11R0.70 CCOCC(=O)NC[C@@H](F)CO WXVL_AK00590SB0091 [0,2,0,0,0,0|2,0,0]=4 978 B11R0.70 CCOCC(=O)NC[C@H](O)CO WXVL_AK00483SB0091 [0,2,0,0,0,0|2,0,0]=4 979 B11R0.70 CCOCC(=O)NC[C@H](O)CO WXVL_AK00483SB0091 [0,2,0,0,0,0|2,0,0]=4 980 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [0,2,0,0,0,0|2,0,0]=4 981 B11R0.140 C#CCCCC(=O)NCCCC WXVL_AK00588SB2709 [0,2,0,0,0,0|2,0,0]=4 982 B11R0.140 C#CCCNC(=O)CCCCBr WXVL_AK3109SB3153 [0,2,0,0,0,0|2,0,0]=4 983 B11R0.140 C#CCCNC(=O)CCCCBr WXVL_AK3109SB3153 [0,2,0,0,0,0|2,0,0]=4 984 B11R0.140 C#CCCNC(=O)CCCCCl WXVL_AK3109SB0379 [0,2,0,0,0,0|2,0,0]=4 985 B11R0.140 C#CCCNC(=O)CCCCCl WXVL_AK3109SB0379 [0,2,0,0,0,0|2,0,0]=4 986 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,2,0,0,0,0|2,0,0]=4 987 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,2,0,0,0,0|2,0,0]=4 988 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,2,0,0,0,0|2,0,0]=4 989 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,2,0,0,0,0|2,0,0]=4 990 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,2,0,0,0,0|2,0,0]=4 991 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,2,0,0,0,0|2,0,0]=4 992 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,2,0,0,0,0|2,0,0]=4 993 B11R0.140 CC/C=C/CC(=O)NCCCC WXVL_AK00588SB0349 [0,2,0,0,0,0|2,0,0]=4 994 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,2,0,0,0,0|1,0,0]=3 995 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,2,0,0,0,0|1,0,0]=3 996 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [0,2,0,0,0,0|2,0,0]=4 997 B11R0.140 CCCCNC(=O)CCCCBr WXVL_AK00588SB3153 [0,2,0,0,0,0|2,0,0]=4 998 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [0,2,0,0,0,0|2,0,0]=4 999 B11R0.140 CCCCNC(=O)CCCCCl WXVL_AK00588SB0379 [0,2,0,0,0,0|2,0,0]=4 1000 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [0,2,0,0,0,0|2,0,0]=4 1001 B11R0.140 CCCCNC(=O)NCCCCl WXVL_AK00588YV0130 [0,2,0,0,0,0|2,0,0]=4 1002 B11R0.140 CCO/C=C/C(=O)NCCCO WXVL_AK0073SB3226 [0,2,0,0,0,0|2,0,0]=4 1003 B11R0.140 CCO/C=C/C(=O)NCCCO WXVL_AK0073SB3226 [0,2,0,0,0,0|2,0,0]=4 1004 B11R0.140 CCO/C=C/C(=O)NCCSC WXVL_AK00440SB3226 [0,2,0,0,0,0|2,0,0]=4 1005 B11R0.140 CCO/C=C/C(=O)NCCSC WXVL_AK00440SB3226 [0,2,0,0,0,0|2,0,0]=4 1006 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [0,2,0,0,0,0|2,0,0]=4 1007 B11R0.140 CSCCNC(=O)CCCCBr WXVL_AK00440SB3153 [0,2,0,0,0,0|2,0,0]=4 1008 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [0,2,0,0,0,0|2,0,0]=4 1009 B11R0.140 CSCCNC(=O)CCCCCl WXVL_AK00440SB0379 [0,2,0,0,0,0|2,0,0]=4 1010 B11R0.140 N#CCCNC(=O)CCCCBr WXVL_AK0087SB3153 [0,2,0,0,0,0|2,0,0]=4 1011 B11R0.140 N#CCCNC(=O)CCCCBr WXVL_AK0087SB3153 [0,2,0,0,0,0|2,0,0]=4 1012 B11R0.140 N#CCCNC(=O)CCCCCl WXVL_AK0087SB0379 [0,2,0,0,0,0|2,0,0]=4 1013 B11R0.140 N#CCCNC(=O)CCCCCl WXVL_AK0087SB0379 [0,2,0,0,0,0|2,0,0]=4 1014 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [0,2,0,0,0,0|2,0,0]=4 1015 B11R0.140 O=C(CCCCBr)NCCCO WXVL_AK0073SB3153 [0,2,0,0,0,0|2,0,0]=4 1016 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [0,2,0,0,0,0|2,0,0]=4 1017 B11R0.140 O=C(CCCCCl)NCCCO WXVL_AK0073SB0379 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,0]=3 1019 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,0]=3 1020 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|2,0,0]=4 1021 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|2,0,0]=4 1022 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,0]=3 1023 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,0]=3 1024 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|2,0,0]=4 1025 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|2,0,0]=4 1026 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,0]=3 1027 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,0]=3 1028 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 1029 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 1030 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 1031 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 1032 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|1,0,0]=3 1033 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|1,0,0]=3 1034 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [1,0,0,1,0,0|1,0,0]=3 1035 B9R1.11 CNC(=O)C1CCCC1 WXVL_AK00442SB0043 [1,0,0,1,0,0|1,0,0]=3 1036 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [1,0,0,1,0,0|2,0,0]=4 1037 B9R1.11 CNC(=O)C1CCCO1 WXVL_AK00442SB1033 [1,0,0,1,0,0|2,0,0]=4 1038 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [1,0,0,1,0,0|2,0,0]=4 1039 B9R1.11 CNC(=O)C1CCCS1 WXVL_AK00442SB0022 [1,0,0,1,0,0|2,0,0]=4 1040 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [1,0,0,1,0,0|2,0,0]=4 1041 B9R1.11 CNC(=O)[C@H]1CCCO1 WXVL_AK00442SB00043 [1,0,0,1,0,0|2,0,0]=4 1042 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [1,0,0,1,0,0|2,0,0]=4 1043 B9R1.11 O=C(CO)N1CCCC1 WXVL_AN0008SB2706 [1,0,0,1,0,0|2,0,0]=4 1044 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [1,0,0,1,0,0|2,0,0]=4 1045 B9R1.79 CCC(=O)NC1CNC1 WXVL_AK1291SB0064 [1,0,0,1,0,0|2,0,0]=4 1046 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [1,0,0,1,0,0|2,0,0]=4 1047 B9R1.79 CCC(=O)NC1CSC1 WXVL_AK2089SB0064 [1,0,0,1,0,0|2,0,0]=4 1048 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [1,0,0,1,0,0|1,0,0]=3 1049 B9R1.79 CNC(=O)CC1CCC1 WXVL_AK00442SB2207 [1,0,0,1,0,0|1,0,0]=3 1050 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [1,0,0,1,0,0|1,0,0]=3 1051 B9R1.80 CNC(=O)CCC1CC1 WXVL_AK00442SB5360 [1,0,0,1,0,0|1,0,0]=3 1052 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 1053 B11R1.16 CCCC(=O)N1CCOCC1 WXVL_AN00478SB0073 [0,1,0,1,0,0|2,0,0]=4 1054 B11R1.16 CCCC(=O)N1CCSCC1 WXVL_AN0896SB0073 [0,1,0,1,0,0|2,0,0]=4 1055 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,1,0,1,0,0|1,0,1]=4 1056 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,1,0,1,0,0|1,0,1]=4 1057 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|1,0,0]=3 1058 B11R1.16 CCNC(=O)C1CCCCC1 WXVL_AK00476SB0047 [0,1,0,1,0,0|1,0,0]=3 1059 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,1,0,1,0,0|1,0,0]=3 1060 B11R1.16 CCNC(=O)C1CCCCO1 WXVL_AK00476SB0206 [0,1,0,1,0,0|1,0,0]=3 1061 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,1,0,1,0,0|1,0,0]=3 1062 B11R1.16 CCNC(=O)C1CCOCC1 WXVL_AK00476SB0149 [0,1,0,1,0,0|1,0,0]=3 1063 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,1,0,1,0,0|1,0,0]=3 1064 B11R1.16 CCNC(=O)C1CCSCC1 WXVL_AK00476SB0752 [0,1,0,1,0,0|1,0,0]=3 1065 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,1,0,1,0,0|1,0,0]=3 1066 B11R1.16 CCNC(=O)[C@H]1CCCCO1 WXVL_AK00476SB00044 [0,1,0,1,0,0|1,0,0]=3 1067 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,1,0,1,0,0|1,0,0]=3 1068 B11R1.30 CCNC(=O)CC1CCCC1 WXVL_AK00476SB0044 [0,1,0,1,0,0|1,0,0]=3 1069 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,1,0,1,0,0|1,0,0]=3 1070 B11R1.30 CCNC(=O)CN1CCCC1 WXVL_AK00476SB0201 [0,1,0,1,0,0|1,0,0]=3 1071 B11R1.199 C/C=C/C(=O)N1CCC[C@H]1C WXVL_AN00593SB0340 [0,1,0,1,0,0|1,0,1]=4 1072 B11R1.199 CC#CC(=O)N1CCC[C@H]1C WXVL_AN00593SB1240 [0,1,0,1,0,0|1,0,1]=4 1073 B11R1.199 CCCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0073 [0,1,0,1,0,0|1,0,0]=3 1074 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,1,0,1,0,0|1,0,0]=3 1075 B11R1.199 CCNC(=O)C1CCCC1C WXVL_AK00476SB0904 [0,1,0,1,0,0|1,0,0]=3 1076 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,1,0,1,0,0|1,0,0]=3 1077 B11R1.199 CCNC(=O)[C@@H]1CCCN1C WXVL_AK00476SB1197 [0,1,0,1,0,0|1,0,0]=3 1078 B11R1.199 COCC(=O)N1CCC[C@H]1C WXVL_AN00593SB0090 [0,1,0,1,0,0|2,0,0]=4 1079 B11R1.199 CSCC(=O)N1CCC[C@H]1C WXVL_AN00593SB1267 [0,1,0,1,0,0|2,0,0]=4 1080 B11R1.200 CCCC(=O)N1CC[C@@H]1CO WXVL_AN00694SB0073 [0,1,0,1,0,0|2,0,0]=4 1081 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [0,1,0,1,0,0|2,0,0]=4 1082 B11R1.200 CCCC(=O)N1CC[C@H]1CO WXVL_AN3414SB0073 [0,1,0,1,0,0|2,0,0]=4 1083 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,1,0,1,0,0|1,0,1]=4 1084 B11R1.289 C/C=C/C(=O)NCC1CCC1 WXVL_AK00492SB0340 [0,1,0,1,0,0|1,0,1]=4 1085 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,1,0,1,0,0|1,0,1]=4 1086 B11R1.289 CC#CC(=O)NCC1CCC1 WXVL_AK00492SB1240 [0,1,0,1,0,0|1,0,1]=4 1087 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,1,0,1,0,0|1,0,0]=3 1088 B11R1.289 CCCC(=O)NCC1CCC1 WXVL_AK00492SB0073 [0,1,0,1,0,0|1,0,0]=3 1089 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,1,0,1,0,0|2,0,0]=4 1090 B11R1.289 CCCC(=O)NCC1CCO1 WXVL_AK1433SB0073 [0,1,0,1,0,0|2,0,0]=4 1091 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,1,0,1,0,0|2,0,0]=4 1092 B11R1.289 CCCC(=O)NCC1COC1 WXVL_AK0186SB0073 [0,1,0,1,0,0|2,0,0]=4 1093 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,1,0,1,0,0|1,0,0]=3 1094 B11R1.289 CCNC(=O)CCC1CCC1 WXVL_AK00476SB8784 [0,1,0,1,0,0|1,0,0]=3 1095 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,1,0,1,0,0|2,0,0]=4 1096 B11R1.289 COCC(=O)NCC1CCC1 WXVL_AK00492SB0090 [0,1,0,1,0,0|2,0,0]=4 1097 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,1,0,1,0,0|2,0,0]=4 1098 B11R1.289 CSCC(=O)NCC1CCC1 WXVL_AK00492SB1267 [0,1,0,1,0,0|2,0,0]=4 1099 B11R1.290 C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0340 [0,1,0,1,0,0|1,0,1]=4 1100 B11R1.290 C/C=C/C(=O)NCCC1CC1 WXVL_AK00594SB0340 [0,1,0,1,0,0|1,0,1]=4 1101 B11R1.290 CC#CC(=O)NCCC1CC1 WXVL_AK00594SB1240 [0,1,0,1,0,0|1,0,1]=4 1102 B11R1.290 CC#CC(=O)NCCC1CC1 WXVL_AK00594SB1240 [0,1,0,1,0,0|1,0,1]=4 1103 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [0,1,0,1,0,0|1,0,0]=3 1104 B11R1.290 CCCC(=O)NCCC1CC1 WXVL_AK00594SB0073 [0,1,0,1,0,0|1,0,0]=3 1105 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [0,1,0,1,0,0|2,0,0]=4 1106 B11R1.290 COCC(=O)NCCC1CC1 WXVL_AK00594SB0090 [0,1,0,1,0,0|2,0,0]=4 1107 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [0,1,0,1,0,0|2,0,0]=4 1108 B11R1.290 CSCC(=O)NCCC1CC1 WXVL_AK00594SB1267 [0,1,0,1,0,0|2,0,0]=4 1109 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [0,1,0,1,0,0|1,0,0]=3 1110 B11R1.356 CCCCCNC(=O)C1CC1 WXVL_AK0076SB0038 [0,1,0,1,0,0|1,0,0]=3 1111 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [0,1,0,1,0,0|2,0,0]=4 1112 B11R1.356 CCSCCNC(=O)C1CC1 WXVL_AK00494SB0038 [0,1,0,1,0,0|2,0,0]=4 1113 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [0,1,0,1,0,0|2,0,0]=4 1114 B11R1.356 COCCCNC(=O)C1CC1 WXVL_AK00637SB0038 [0,1,0,1,0,0|2,0,0]=4 1115 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [0,1,0,1,0,0|2,0,0]=4 1116 B11R1.356 CSCCCNC(=O)C1CC1 WXVL_AK0965SB0038 [0,1,0,1,0,0|2,0,0]=4 1117 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.356 O=C(NCCCCO)C1CC1 WXVL_AK0075SB0038 [0,1,0,1,0,0|2,0,0]=4 1119 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,1,0,1,0,0|2,0,0]=4 1120 B11R1.201 CCCC(=O)NC1CC(C1)C WXVL_AK0309SB0073 [0,1,0,1,0,0|2,0,0]=4 1121 B11R1.201 CCCC(=O)NC1CC(C1)F WXVL_AK0307SB0073 [0,1,0,1,0,0|2,0,0]=4 1122 B11R1.201 CCCC(=O)NC1CC(C1)F WXVL_AK0307SB0073 [0,1,0,1,0,0|2,0,0]=4 1123 B11R1.201 CCCC(=O)NC1CC(C1)O WXVL_AK0306SB0073 [0,1,0,1,0,0|2,0,0]=4 1124 B11R1.201 CCCC(=O)NC1CC(C1)O WXVL_AK0306SB0073 [0,1,0,1,0,0|2,0,0]=4 1125 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0073 [0,1,0,1,0,0|2,0,0]=4 1126 B11R1.201 CCCC(=O)N[C@H]1C[C@H](C1)O WXVL_AK1397SB0073 [0,1,0,1,0,0|2,0,0]=4 1127 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,1,0,1,0,0|2,0,0]=4 1128 B11R1.334 CCCC(=O)NC(C)C1CC1 WXVL_AK00200SB0073 [0,1,0,1,0,0|2,0,0]=4 1129 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,1,0,1,0,0|2,0,0]=4 1130 B11R1.334 CCCC(=O)N[C@@H](C)C1CC1 WXVL_AK0484SB0073 [0,1,0,1,0,0|2,0,0]=4 1131 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,1,0,1,0,0|2,0,0]=4 1132 B11R1.334 CCC[C@H](C)NC(=O)C1CC1 WXVL_AK00682SB0038 [0,1,0,1,0,0|2,0,0]=4 1133 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,1,0,1,0,0|1,0,0]=3 1134 B11R1.840 CCNC(=O)CC1(CCC1)O WXVL_AK00476SB0026 [0,1,0,1,0,0|1,0,0]=3 1135 B11R1.15 CCCC(=O)N1CCC(C1)Br WXVL_AN00715SB0073 [0,1,0,1,0,0|2,0,0]=4 1136 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 1137 B11R1.15 CCCC(=O)N1CCC(C1)C WXVL_AN0556SB0073 [0,1,0,1,0,0|2,0,0]=4 1138 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 1139 B11R1.15 CCCC(=O)N1CCC(C1)F WXVL_AN00338SB0073 [0,1,0,1,0,0|2,0,0]=4 1140 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 1141 B11R1.15 CCCC(=O)N1CCC(C1)O WXVL_AN0158SB0073 [0,1,0,1,0,0|2,0,0]=4 1142 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 1143 B11R1.15 CCCC(=O)N1CC[C@@H](C1)C WXVL_AN00094SB0073 [0,1,0,1,0,0|2,0,0]=4 1144 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 1145 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O WXVL_AN00391SB0073 [0,1,0,1,0,0|2,0,0]=4 1146 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 1147 B11R1.15 CCCC(=O)N1CC[C@H](C1)C WXVL_AN00488SB0073 [0,1,0,1,0,0|2,0,0]=4 1148 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 1149 B11R1.15 CCCC(=O)N1CC[C@H](C1)F WXVL_AN00035SB0073 [0,1,0,1,0,0|2,0,0]=4 1150 B11R1.15 CCCC(=O)N1CC[C@H](C1)O WXVL_AN00543SB0073 [0,1,0,1,0,0|2,0,0]=4 1151 B11R1.15 CCNC(=O)C1CCN(C1)C WXVL_AK00476SB1540 [0,1,0,1,0,0|2,0,0]=4 1152 B11R1.15 CCNC(=O)C1CCN(C1)C WXVL_AK00476SB1540 [0,1,0,1,0,0|2,0,0]=4 1153 B11R1.15 CCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00476SB00007 [0,1,0,1,0,0|2,0,0]=4 1154 B11R1.15 CCNC(=O)[C@@H]1C[C@@H](CN1)O WXVL_AK00476SB00007 [0,1,0,1,0,0|2,0,0]=4 1155 B11R1.15 CCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00476SB0853 [0,1,0,1,0,0|1,0,0]=3 1156 B11R1.15 CCNC(=O)[C@H]1CC[C@H](O1)C WXVL_AK00476SB0853 [0,1,0,1,0,0|1,0,0]=3 1157 B11R1.720 CC(C)CCNC(=O)C1CC1 WXVL_AK0068SB0038 [0,1,0,1,0,0|2,0,0]=4 1158 B11R1.720 CC(C)CCNC(=O)C1CC1 WXVL_AK0068SB0038 [0,1,0,1,0,0|2,0,0]=4 1159 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 1160 B11R1.77 CC(C)CC(=O)N1CCCC1 WXVL_AN0008SB0063 [0,1,0,1,0,0|2,0,0]=4 1161 B11R1.77 CC(C)NC(=O)C1CCCC1 WXVL_AK0030SB0043 [0,1,0,1,0,0|1,0,0]=3 1162 B11R1.77 CC(C)NC(=O)C1CCCC1 WXVL_AK0030SB0043 [0,1,0,1,0,0|1,0,0]=3 1163 B11R1.77 CC(C)NC(=O)C1CCCO1 WXVL_AK0030SB1033 [0,1,0,1,0,0|2,0,0]=4 1164 B11R1.77 CC(C)NC(=O)C1CCCO1 WXVL_AK0030SB1033 [0,1,0,1,0,0|2,0,0]=4 1165 B11R1.77 CC(C)NC(=O)C1CCCS1 WXVL_AK0030SB0022 [0,1,0,1,0,0|2,0,0]=4 1166 B11R1.77 CC(C)NC(=O)C1CCCS1 WXVL_AK0030SB0022 [0,1,0,1,0,0|2,0,0]=4 1167 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 WXVL_AK0030SB00043 [0,1,0,1,0,0|2,0,0]=4 1168 B11R1.77 CC(C)NC(=O)[C@H]1CCCO1 WXVL_AK0030SB00043 [0,1,0,1,0,0|2,0,0]=4 1169 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 1170 B11R1.77 CC(O)CC(=O)N1CCCC1 WXVL_AN0008SB3643 [0,1,0,1,0,0|2,0,0]=4 1171 B11R1.301 CCCCNC(=O)CC1CC1 WXVL_AK00588SB0155 [0,1,0,1,0,0|2,0,0]=4 1172 B11R1.301 CCCCNC(=O)CC1CC1 WXVL_AK00588SB0155 [0,1,0,1,0,0|2,0,0]=4 1173 B11R1.301 O=C(CCCCBr)NC1CC1 WXVL_AK0001SB3153 [0,1,0,1,0,0|2,0,0]=4 1174 B11R1.301 O=C(CCCCBr)NC1CC1 WXVL_AK0001SB3153 [0,1,0,1,0,0|2,0,0]=4 1175 B11R1.301 O=C(CCCCCl)NC1CC1 WXVL_AK0001SB0379 [0,1,0,1,0,0|2,0,0]=4 1176 B11R1.301 O=C(CCCCCl)NC1CC1 WXVL_AK0001SB0379 [0,1,0,1,0,0|2,0,0]=4 1177 B11R1.484 CC(C)NC(=O)CC1CCC1 WXVL_AK0030SB2207 [0,1,0,1,0,0|1,0,0]=3 1178 B11R1.484 CC(C)NC(=O)CC1CCC1 WXVL_AK0030SB2207 [0,1,0,1,0,0|1,0,0]=3 1179 B11R1.485 CC(C)NC(=O)CCC1CC1 WXVL_AK0030SB5360 [0,1,0,1,0,0|1,0,0]=3 1180 B11R1.485 CC(C)NC(=O)CCC1CC1 WXVL_AK0030SB5360 [0,1,0,1,0,0|1,0,0]=3 1181 B11R1.1034 CCCCNC(=O)C1CC1C WXVL_AK00588SB0041 [0,1,0,1,0,0|2,0,0]=4 1182 B11R1.1034 CCCCNC(=O)C1CC1C WXVL_AK00588SB0041 [0,1,0,1,0,0|2,0,0]=4 1183 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00588SB1245 [0,1,0,1,0,0|2,0,0]=4 1184 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00588SB1245 [0,1,0,1,0,0|2,0,0]=4 1185 B11R1.1034 CCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00588SB00019 [0,1,0,1,0,0|2,0,0]=4 1186 B11R1.1034 CCCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00588SB00019 [0,1,0,1,0,0|2,0,0]=4 1187 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [0,1,0,1,0,0|1,0,1]=4 1188 B11R1.29 C=CCNC(=O)C1CCCC1 WXVL_AK00561SB0043 [0,1,0,1,0,0|1,0,1]=4 1189 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,0]=3 1190 B11R1.29 CCCNC(=O)C1CCCC1 WXVL_AK00504SB0043 [0,1,0,1,0,0|1,0,0]=3 1191 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|2,0,0]=4 1192 B11R1.29 CCCNC(=O)C1CCCO1 WXVL_AK00504SB1033 [0,1,0,1,0,0|2,0,0]=4 1193 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|2,0,0]=4 1194 B11R1.29 CCCNC(=O)C1CCCS1 WXVL_AK00504SB0022 [0,1,0,1,0,0|2,0,0]=4 1195 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|2,0,0]=4 1196 B11R1.29 CCCNC(=O)[C@H]1CCCO1 WXVL_AK00504SB00043 [0,1,0,1,0,0|2,0,0]=4 1197 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|1,0,0]=3 1198 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|1,0,0]=3 1199 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|1,1,0]=4 1200 B11R1.29 CCSCC(=O)N1CCCC1 WXVL_AN0008SB0002 [0,1,0,1,0,0|1,1,0]=4 1201 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 1202 B11R1.29 COCCC(=O)N1CCCC1 WXVL_AN0008SB0156 [0,1,0,1,0,0|2,0,0]=4 1203 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 1204 B11R1.29 CSCCC(=O)N1CCCC1 WXVL_AN0008SB0361 [0,1,0,1,0,0|2,0,0]=4 1205 B11R1.29 N#CCNC(=O)C1CCCC1 WXVL_AK0683SB0043 [0,1,0,1,0,0|1,0,1]=4 1206 B11R1.29 N#CCNC(=O)C1CCCC1 WXVL_AK0683SB0043 [0,1,0,1,0,0|1,0,1]=4 1207 B11R1.29 O=C(NCCCl)N1CCCC1 WXVL_AN0008YV0092 [0,1,0,1,0,0|2,0,0]=4 1208 B11R1.29 O=C(NCCCl)N1CCCC1 WXVL_AN0008YV0092 [0,1,0,1,0,0|2,0,0]=4 1209 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,1,0,1,0,0|1,0,0]=3 1210 B11R1.29 O=C(NCCF)C1CCCC1 WXVL_AK00466SB0043 [0,1,0,1,0,0|1,0,0]=3 1211 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,1,0,1,0,0|2,0,0]=4 1212 B11R1.29 O=C(NCCF)C1CCCO1 WXVL_AK00466SB1033 [0,1,0,1,0,0|2,0,0]=4 1213 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,1,0,1,0,0|2,0,0]=4 1214 B11R1.29 O=C(NCCF)C1CCCS1 WXVL_AK00466SB0022 [0,1,0,1,0,0|2,0,0]=4 1215 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,1,0,1,0,0|2,0,0]=4 1216 B11R1.29 O=C(NCCF)[C@H]1CCCO1 WXVL_AK00466SB00043 [0,1,0,1,0,0|2,0,0]=4 1217 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,1]=4 1218 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,1]=4 1219 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,1,0,1,0,0|1,0,0]=3 1220 B11R1.819 CCNC(=O)C1(CCCC1)C WXVL_AK00476SB0209 [0,1,0,1,0,0|1,0,0]=3 1221 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,1,0,1,0,0|2,0,0]=4 1222 B11R1.819 CCNC(=O)[C@]1(CCCN1)C WXVL_AK00476SB00033 [0,1,0,1,0,0|2,0,0]=4 1223 B11R1.23 CCC(=O)N1CCOC(=O)C1 WXVL_AN4960SB0064 [0,1,0,1,0,0|1,0,1]=4 1224 B11R1.31 CCC(=O)C(=O)N1CCCC1 WXVL_AN0008SB0344 [0,1,0,1,0,0|2,0,0]=4 1225 B11R1.31 CCC(=O)C(=O)N1CCCC1 WXVL_AN0008SB0344 [0,1,0,1,0,0|2,0,0]=4 1226 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 1227 B11R1.31 CCC(C)C(=O)N1CCCC1 WXVL_AN0008SB0054 [0,1,0,1,0,0|2,0,0]=4 1228 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 1229 B11R1.31 CC[C@@H](C)C(=O)N1CCCC1 WXVL_AN0008SB00054 [0,1,0,1,0,0|2,0,0]=4 1230 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 1231 B11R1.31 CC[C@H](O)C(=O)N1CCCC1 WXVL_AN0008SB3573 [0,1,0,1,0,0|2,0,0]=4 1232 B11R1.299 CCCCNC(=O)C1CCC1 WXVL_AK00588SB0042 [0,1,0,1,0,0|2,0,0]=4 1233 B11R1.299 CCCCNC(=O)C1CCC1 WXVL_AK00588SB0042 [0,1,0,1,0,0|2,0,0]=4 1234 B11R1.300 CCCCNC(=O)C1(CC1)Br WXVL_AK00588SB5517 [0,1,0,1,0,0|2,0,0]=4 1235 B11R1.300 CCCCNC(=O)C1(CC1)Br WXVL_AK00588SB5517 [0,1,0,1,0,0|2,0,0]=4 1236 B11R1.300 CCCCNC(=O)C1(CC1)C WXVL_AK00588SB0040 [0,1,0,1,0,0|2,0,0]=4 1237 B11R1.300 CCCCNC(=O)C1(CC1)C WXVL_AK00588SB0040 [0,1,0,1,0,0|2,0,0]=4 1238 B11R1.300 CCCCNC(=O)C1(CC1)F WXVL_AK00588SB0218 [0,1,0,1,0,0|2,0,0]=4 1239 B11R1.300 CCCCNC(=O)C1(CC1)F WXVL_AK00588SB0218 [0,1,0,1,0,0|2,0,0]=4 1240 B11R1.300 CCCCNC(=O)C1(CC1)O WXVL_AK00588SB2965 [0,1,0,1,0,0|2,0,0]=4 1241 B11R1.300 CCCCNC(=O)C1(CC1)O WXVL_AK00588SB2965 [0,1,0,1,0,0|2,0,0]=4 1242 B11R1.284 C=CCNC(=O)CC1CCC1 WXVL_AK00561SB2207 [0,1,0,1,0,0|1,0,1]=4 1243 B11R1.284 C=CCNC(=O)CC1CCC1 WXVL_AK00561SB2207 [0,1,0,1,0,0|1,0,1]=4 1244 B11R1.284 CCCNC(=O)CC1CCC1 WXVL_AK00504SB2207 [0,1,0,1,0,0|1,0,0]=3 1245 B11R1.284 CCCNC(=O)CC1CCC1 WXVL_AK00504SB2207 [0,1,0,1,0,0|1,0,0]=3 1246 B11R1.284 CCOCC(=O)NC1CNC1 WXVL_AK1291SB0091 [0,1,0,1,0,0|2,0,0]=4 1247 B11R1.284 CCOCC(=O)NC1CNC1 WXVL_AK1291SB0091 [0,1,0,1,0,0|2,0,0]=4 1248 B11R1.284 CCOCC(=O)NC1CSC1 WXVL_AK2089SB0091 [0,1,0,1,0,0|2,0,0]=4 1249 B11R1.284 CCOCC(=O)NC1CSC1 WXVL_AK2089SB0091 [0,1,0,1,0,0|2,0,0]=4 1250 B11R1.284 N#CCNC(=O)CC1CCC1 WXVL_AK0683SB2207 [0,1,0,1,0,0|1,0,1]=4 1251 B11R1.284 N#CCNC(=O)CC1CCC1 WXVL_AK0683SB2207 [0,1,0,1,0,0|1,0,1]=4 1252 B11R1.284 O=C(CC1CCC1)NCCF WXVL_AK00466SB2207 [0,1,0,1,0,0|1,0,0]=3 1253 B11R1.284 O=C(CC1CCC1)NCCF WXVL_AK00466SB2207 [0,1,0,1,0,0|1,0,0]=3 1254 B11R1.285 C=CCNC(=O)CCC1CC1 WXVL_AK00561SB5360 [0,1,0,1,0,0|1,0,1]=4 1255 B11R1.285 C=CCNC(=O)CCC1CC1 WXVL_AK00561SB5360 [0,1,0,1,0,0|1,0,1]=4 1256 B11R1.285 CCCNC(=O)CCC1CC1 WXVL_AK00504SB5360 [0,1,0,1,0,0|1,0,0]=3 1257 B11R1.285 CCCNC(=O)CCC1CC1 WXVL_AK00504SB5360 [0,1,0,1,0,0|1,0,0]=3 1258 B11R1.285 N#CCNC(=O)CCC1CC1 WXVL_AK0683SB5360 [0,1,0,1,0,0|1,0,1]=4 1259 B11R1.285 N#CCNC(=O)CCC1CC1 WXVL_AK0683SB5360 [0,1,0,1,0,0|1,0,1]=4 1260 B11R1.285 O=C(CCC1CC1)NCCF WXVL_AK00466SB5360 [0,1,0,1,0,0|1,0,0]=3 1261 B11R1.285 O=C(CCC1CC1)NCCF WXVL_AK00466SB5360 [0,1,0,1,0,0|1,0,0]=3 1262 B11R1.338 CCCC(=O)NCC1(CC1)C WXVL_AK00811SB0073 [0,1,0,1,0,0|2,0,0]=4 1263 B11R1.338 CCCC(=O)NCC1(CC1)C WXVL_AK00811SB0073 [0,1,0,1,0,0|2,0,0]=4 1264 B11R1.338 CCCC(=O)NCC1(CC1)O WXVL_AK0301SB0073 [0,1,0,1,0,0|2,0,0]=4 1265 B11R1.338 CCCC(=O)NCC1(CC1)O WXVL_AK0301SB0073 [0,1,0,1,0,0|2,0,0]=4 1266 B11R1.328 CCNS(=O)(=O)CC1CCC1 WXVL_AK00476HU0422 [0,1,0,1,0,0|2,0,0]=4 1267 B11R1.328 CCNS(=O)(=O)CC1CCC1 WXVL_AK00476HU0422 [0,1,0,1,0,0|2,0,0]=4 1268 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4 1269 B11R2.1031 O=C(C1CC1)N2CCCC2 WXVL_AN0008SB0038 [0,0,0,2,0,0|2,0,0]=4