0 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 C/C=C/C(=O)NCCCC WXVL_AK00588SB0340 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CC#CC(=O)NCCCC WXVL_AK00588SB1240 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.5 CC/C=C/CC(=O)NCC WXVL_AK00476SB0349 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.5 CCCCNC(=O)COC WXVL_AK00588SB0090 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.5 CCCCNC(=O)CSC WXVL_AK00588SB1267 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.5 CCNC(=O)/C=C/OCC WXVL_AK00476SB3226 [0,0,0,0,0,0|2,0,0]=2 20 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.1 CC#CC(=O)NCCC WXVL_AK00504SB1240 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|3,0,0]=4 35 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.1 CCNC(=O)/C=C/CBr WXVL_AK00476SB0424 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [1,0,0,0,0,0|1,0,2]=4 52 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [1,0,0,0,0,0|1,0,2]=4 53 B8R0.6 CC/C=C/CC(=O)NC WXVL_AK00442SB0349 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,0,0,0,0,0|1,0,1]=3 60 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.6 CCO/C=C/C(=O)NC WXVL_AK00442SB3226 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,1,0,0,0,0|2,0,1]=4 69 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.1 CCCC(=O)NCCSCC WXVL_AK00494SB0073 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|1,0,2]=4 73 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|1,0,2]=4 76 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|1,0,2]=4 77 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|1,0,2]=4 78 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.2 CCCC(=O)N[C@@H](C)CCC WXVL_AK00682SB0073 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,1,0,0,0,0|1,0,1]=3 83 B10R0.2 CCNC(=O)CC(=O)OCC WXVL_AK00476SB3094 [0,1,0,0,0,0|1,0,1]=3 84 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [0,1,0,0,0,0|2,0,1]=4 85 B10R0.3 CCCC(=O)NCCC(C)C WXVL_AK0068SB0073 [0,1,0,0,0,0|2,0,1]=4 86 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,1,0,0,0,0|1,0,2]=4 88 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.6 C/C=C/C=C/C(=O)NC(C)C WXVL_AK0030SB0348 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.6 CC/C=C/CC(=O)NC(C)C WXVL_AK0030SB0349 [0,1,0,0,0,0|1,0,2]=4 92 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [0,1,0,0,0,0|2,0,1]=4 93 B10R0.6 CCCCNC(=O)CC(C)C WXVL_AK00588SB0063 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.6 CCCCNC(=O)CC(C)O WXVL_AK00588SB3643 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,1,0,0,0,0|2,0,0]=3 97 B10R0.6 CCO/C=C/C(=O)NC(C)C WXVL_AK0030SB3226 [0,1,0,0,0,0|2,0,0]=3 98 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|3,0,0]=4 101 B10R0.19 CC/C=C(\C)/C(=O)NCCC WXVL_AK00504SB0037 [0,1,0,0,0,0|3,0,0]=4 102 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,2]=4 103 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,0]=2 105 B10R0.19 CCCNC(=O)C(=O)OCC WXVL_AK00504SB4144 [0,1,0,0,0,0|1,0,0]=2 106 B10R0.19 CCOC(=O)C(=O)NCC#N WXVL_AK0683SB4144 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.19 CCOC(=O)C(=O)NCC#N WXVL_AK0683SB4144 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,0]=3 109 B10R0.19 CCOC(=O)C(=O)NCCF WXVL_AK00466SB4144 [0,1,0,0,0,0|2,0,0]=3 110 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,1,0,0,0,0|2,0,1]=4 111 B10R0.83 CCCCNC(=O)C(=O)CC WXVL_AK00588SB0344 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.83 CCCCNC(=O)C(C)CC WXVL_AK00588SB0054 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.83 CCCCNC(=O)[C@@H](O)CC WXVL_AK00588SB3573 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.83 CCCCNC(=O)[C@H](C)CC WXVL_AK00588SB00054 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.91 C/C=C/C=C/C(=O)NCCC WXVL_AK00504SB0348 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.91 C/C=C/C=C/C(=O)NCCF WXVL_AK00466SB0348 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.91 C=CCNC(=O)/C=C/OCC WXVL_AK00561SB3226 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.91 C=CCNC(=O)/C=C/OCC WXVL_AK00561SB3226 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|1,0,2]=4 125 B10R0.91 CC/C=C/CC(=O)NCCC WXVL_AK00504SB0349 [0,1,0,0,0,0|1,0,2]=4 126 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,1,0,0,0,0|1,0,2]=4 127 B10R0.91 CC/C=C/CC(=O)NCCF WXVL_AK00466SB0349 [0,1,0,0,0,0|1,0,2]=4 128 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.91 CCCCNC(=O)CCOC WXVL_AK00588SB0156 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.91 CCCCNC(=O)CCSC WXVL_AK00588SB0361 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,1,0,0,0,0|1,0,1]=3 133 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,1,0,0,0,0|1,0,1]=3 134 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,1,0,0,0,0|1,1,1]=4 135 B10R0.91 CCCCNC(=O)CSCC WXVL_AK00588SB0002 [0,1,0,0,0,0|1,1,1]=4 136 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,1,0,0,0,0|2,0,1]=4 137 B10R0.91 CCCCNC(=O)NCCCl WXVL_AK00588YV0092 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,1,0,0,0,0|2,0,0]=3 139 B10R0.91 CCCNC(=O)/C=C/OCC WXVL_AK00504SB3226 [0,1,0,0,0,0|2,0,0]=3 140 B10R0.91 CCO/C=C/C(=O)NCC#N WXVL_AK0683SB3226 [0,1,0,0,0,0|2,0,1]=4 141 B10R0.91 CCO/C=C/C(=O)NCC#N WXVL_AK0683SB3226 [0,1,0,0,0,0|2,0,1]=4 142 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.91 CCO/C=C/C(=O)NCCF WXVL_AK00466SB3226 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,1,0,0,0,0|2,0,1]=4 145 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,1,0,0,0,0|1,0,1]=3 149 B10R0.108 CCOC(=O)/C=C/C(=O)NC WXVL_AK00442SB0061 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,1]=4 151 B10R1.11 CCCC(=O)N1CCCC1 WXVL_AN0008SB0073 [0,0,0,1,0,0|2,0,1]=4 152 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,2]=4 153 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,2]=4 154 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,1]=4 155 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,1]=4 156 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,1]=4 157 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,1]=4 158 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,1]=4 159 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,1]=4 160 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,1,0,0|1,0,2]=4 161 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,1,0,0|1,0,2]=4 162 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,0,0,1,0,0|1,0,0]=2 163 B10R1.138 CCNC(=O)C=CC1CC1 WXVL_AK00476SB4216 [0,0,0,1,0,0|1,0,0]=2 164 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,1,0,0|1,0,2]=4 165 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,1,0,0|1,0,2]=4 166 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [0,0,0,1,0,0|2,0,1]=4 167 B10R1.186 CCCCNC(=O)C1CC1 WXVL_AK00588SB0038 [0,0,0,1,0,0|2,0,1]=4 168 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,0]=3 172 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.3 CNC(=O)/C=C/CBr WXVL_AK00442SB0424 [2,0,0,0,0,0|2,0,0]=4 176 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [2,0,0,0,0,0|1,0,0]=3 177 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 179 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 180 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 181 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 183 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 184 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [2,0,0,0,0,0|1,0,1]=4 185 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [2,0,0,0,0,0|1,0,1]=4 186 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.4 CCO/C=C/C(=O)N WXVL_AK0084SB3226 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.4 CC(C)NC(=O)/C=C/CBr WXVL_AK0030SB0424 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.4 CC(C)NC(=O)/C=C/CBr WXVL_AK0030SB0424 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.4 CCCNC(=O)CC(C)C WXVL_AK00504SB0063 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.4 CCCNC(=O)CC(C)O WXVL_AK00504SB3643 [1,1,0,0,0,0|2,0,0]=4 194 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.8 CCCNC(=O)C(=O)CC WXVL_AK00504SB0344 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.8 CCCNC(=O)C(C)CC WXVL_AK00504SB0054 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.8 CCCNC(=O)[C@@H](O)CC WXVL_AK00504SB3573 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|2,0,0]=4 201 B9R0.8 CCCNC(=O)[C@H](C)CC WXVL_AK00504SB00054 [1,1,0,0,0,0|2,0,0]=4 202 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.18 CCCNC(=O)/C=C/CBr WXVL_AK00504SB0424 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|2,0,0]=4 205 B9R0.18 CCCNC(=O)CCOC WXVL_AK00504SB0156 [1,1,0,0,0,0|2,0,0]=4 206 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|2,0,0]=4 207 B9R0.18 CCCNC(=O)CCSC WXVL_AK00504SB0361 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 209 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,0]=3 210 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,1,0]=4 211 B9R0.18 CCCNC(=O)CSCC WXVL_AK00504SB0002 [1,1,0,0,0,0|1,1,0]=4 212 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.18 CCCNC(=O)NCCCl WXVL_AK00504YV0092 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.18 O=C(/C=C/CBr)NCCF WXVL_AK00466SB0424 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.18 O=C(/C=C/CBr)NCCF WXVL_AK00466SB0424 [1,1,0,0,0,0|2,0,0]=4 218 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.34 CCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0073 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,1]=4 221 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,1]=4 222 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,1]=4 223 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,1]=4 224 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,1]=4 225 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,1]=4 226 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 227 B9R0.34 CCOC(=O)CC(=O)NC WXVL_AK00442SB3094 [1,1,0,0,0,0|1,0,1]=4 228 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [1,1,0,0,0,0|1,0,0]=3 229 B9R0.35 CC/C=C(\C)/C(=O)NCC WXVL_AK00476SB0037 [1,1,0,0,0,0|1,0,0]=3 230 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [1,1,0,0,0,0|1,0,1]=4 231 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [1,1,0,0,0,0|1,0,1]=4 232 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [1,1,0,0,0,0|1,0,1]=4 233 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [1,1,0,0,0,0|1,0,0]=3 235 B9R0.35 CCNC(=O)C(=O)OCC WXVL_AK00476SB4144 [1,1,0,0,0,0|1,0,0]=3 236 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.48 CCCC(=O)NCC(C)C WXVL_AK00544SB0073 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.48 CCCC(=O)NCC(C)O WXVL_AK0052SB0073 [1,1,0,0,0,0|2,0,0]=4 240 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.48 CCCC(=O)NC[C@H](C)O WXVL_AK0113SB0073 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [1,1,0,0,0,0|1,0,0]=3 243 B9R0.48 CCNC(=O)/C=C/C(C)C WXVL_AK00476SB0036 [1,1,0,0,0,0|1,0,0]=3 244 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [1,1,0,0,0,0|1,0,1]=4 247 B9R0.48 CCOC(=O)/C=C/C(=O)N WXVL_AK0084SB0061 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.1 CCC(=O)NCCC(C)C WXVL_AK0068SB0064 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.47 CCCCNC(=O)C(C)C WXVL_AK00588SB0052 [1,1,0,0,0,0|1,0,1]=4 252 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [1,1,0,0,0,0|1,0,1]=4 253 B9R0.47 CCCCNC(=O)C(C)S WXVL_AK00588SB2708 [1,1,0,0,0,0|1,0,1]=4 254 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [1,1,0,0,0,0|1,0,1]=4 255 B9R0.47 CCCCNC(=O)[C@@H](C)O WXVL_AK00588SB1085 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [1,1,0,0,0,0|2,0,0]=4 257 B9R0.47 CCO/C=C/C(=O)N(C)C WXVL_AN0032SB3226 [1,1,0,0,0,0|2,0,0]=4 258 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,2,0,0,0,0|1,0,0]=3 259 B11R0.4 CCCCC/C=C/C(=O)NCC WXVL_AK00476SB3331 [0,2,0,0,0,0|1,0,0]=3 260 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,2,0,0,0,0|0,0,1]=3 261 B11R0.5 CCCNC(=O)CC(=O)OCC WXVL_AK00504SB3094 [0,2,0,0,0,0|0,0,1]=3 262 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,2,0,0,0,0|1,0,1]=4 263 B11R0.5 CCC[C@H](C)NC(=O)COCC WXVL_AK00682SB0091 [0,2,0,0,0,0|1,0,1]=4 264 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,2,0,0,0,0|1,0,1]=4 265 B11R0.5 CCOC(=O)CC(=O)NCCF WXVL_AK00466SB3094 [0,2,0,0,0,0|1,0,1]=4 266 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,2,0,0,0,0|0,0,1]=3 267 B11R0.62 CCNC(=O)/C=C/C(=O)OCC WXVL_AK00476SB0061 [0,2,0,0,0,0|0,0,1]=3 268 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,2,0,0,0,0|1,0,1]=4 269 B11R0.62 CCNC(=O)NCC(=O)OCC WXVL_AK00476YV0151 [0,2,0,0,0,0|1,0,1]=4 270 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,2,0,0,0,0|0,0,2]=4 271 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,2,0,0,0,0|0,0,2]=4 272 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,2,0,0,0,0|1,0,1]=4 273 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,2,0,0,0,0|1,0,1]=4 274 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,2,0,0,0,0|1,0,1]=4 275 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,2,0,0,0,0|1,0,1]=4 276 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,2,0,0,0,0|1,0,1]=4 277 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,2,0,0,0,0|1,0,1]=4 278 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,2,0,0,0,0|1,0,1]=4 279 B11R0.81 CCOCC(=O)NCCSCC WXVL_AK00494SB0091 [0,2,0,0,0,0|1,0,1]=4 280 B11R0.155 C#CCCNC(=O)C(=O)OCC WXVL_AK3109SB4144 [0,2,0,0,0,0|1,0,1]=4 281 B11R0.155 C#CCCNC(=O)C(=O)OCC WXVL_AK3109SB4144 [0,2,0,0,0,0|1,0,1]=4 282 B11R0.155 C=CCCNC(=O)C(=O)OCC WXVL_AK00138SB4144 [0,2,0,0,0,0|1,0,1]=4 283 B11R0.155 C=CCCNC(=O)C(=O)OCC WXVL_AK00138SB4144 [0,2,0,0,0,0|1,0,1]=4 284 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|0,0,1]=3 285 B11R0.155 CCCCNC(=O)C(=O)OCC WXVL_AK00588SB4144 [0,2,0,0,0,0|0,0,1]=3 286 B11R0.155 CCO/C=C/C(=O)N(C)CCO WXVL_AN2670SB3226 [0,2,0,0,0,0|2,0,0]=4 287 B11R0.155 CCO/C=C/C(=O)N(C)CCO WXVL_AN2670SB3226 [0,2,0,0,0,0|2,0,0]=4 288 B11R0.155 CCOC(=O)C(=O)NCCC#N WXVL_AK0087SB4144 [0,2,0,0,0,0|1,0,1]=4 289 B11R0.155 CCOC(=O)C(=O)NCCC#N WXVL_AK0087SB4144 [0,2,0,0,0,0|1,0,1]=4 290 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,0]=3 291 B11R0.155 CCOC(=O)C(=O)NCCCO WXVL_AK0073SB4144 [0,2,0,0,0,0|1,0,0]=3 292 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,0]=3 293 B11R0.155 CCOC(=O)C(=O)NCCSC WXVL_AK00440SB4144 [0,2,0,0,0,0|1,0,0]=3 294 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,2,0,0,0,0|1,0,1]=4 295 B11R0.1 CCOC(=O)CC(=O)NC(C)C WXVL_AK0030SB3094 [0,2,0,0,0,0|1,0,1]=4 296 B11R0.177 CCOC(=O)C(=O)N(C)CCO WXVL_AN2670SB4144 [0,2,0,0,0,0|2,0,0]=4 297 B11R0.177 CCOC(=O)C(=O)N(C)CCO WXVL_AN2670SB4144 [0,2,0,0,0,0|2,0,0]=4 298 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 299 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 300 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,0]=3 301 B11R0.59 CCOC(=O)C(=O)NCC(C)C WXVL_AK00544SB4144 [0,2,0,0,0,0|1,0,0]=3 302 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,0]=3 303 B11R0.59 CCOC(=O)C(=O)NCC(C)O WXVL_AK0052SB4144 [0,2,0,0,0,0|1,0,0]=3 304 B11R0.59 CCOC(=O)C(=O)NCC(F)F WXVL_AK0136SB4144 [0,2,0,0,0,0|2,0,0]=4 305 B11R0.59 CCOC(=O)C(=O)NCC(F)F WXVL_AK0136SB4144 [0,2,0,0,0,0|2,0,0]=4 306 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,0]=3 307 B11R0.59 CCOC(=O)C(=O)NC[C@H](C)O WXVL_AK0113SB4144 [0,2,0,0,0,0|1,0,0]=3 308 B11R0.141 CCOC(=O)/C=C/C(=O)N(C)C WXVL_AN0032SB0061 [0,2,0,0,0,0|1,0,1]=4 309 B11R0.141 CCOC(=O)/C=C/C(=O)N(C)C WXVL_AN0032SB0061 [0,2,0,0,0,0|1,0,1]=4 310 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [0,2,0,0,0,0|1,0,1]=4 311 B11R0.147 CCOCC(=O)NCCC(C)C WXVL_AK0068SB0091 [0,2,0,0,0,0|1,0,1]=4 312 B11R0.139 CCO/C=C/C(=O)N(C)C(C)C WXVL_AN0073SB3226 [0,2,0,0,0,0|2,0,0]=4 313 B11R0.139 CCO/C=C/C(=O)N(C)C(C)C WXVL_AN0073SB3226 [0,2,0,0,0,0|2,0,0]=4 314 B11R0.154 C#C[C@@H](C)NC(=O)/C=C/OCC WXVL_AK00735SB3226 [0,2,0,0,0,0|2,0,0]=4 315 B11R0.154 C#C[C@@H](C)NC(=O)/C=C/OCC WXVL_AK00735SB3226 [0,2,0,0,0,0|2,0,0]=4 316 B11R0.154 C=CC(C)NC(=O)/C=C/OCC WXVL_AK00769SB3226 [0,2,0,0,0,0|2,0,0]=4 317 B11R0.154 C=CC(C)NC(=O)/C=C/OCC WXVL_AK00769SB3226 [0,2,0,0,0,0|2,0,0]=4 318 B11R0.154 CCO/C=C/C(=O)NC(C)C#N WXVL_AK00810SB3226 [0,2,0,0,0,0|2,0,0]=4 319 B11R0.154 CCO/C=C/C(=O)NC(C)C#N WXVL_AK00810SB3226 [0,2,0,0,0,0|2,0,0]=4 320 B11R0.154 CCO/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB3226 [0,2,0,0,0,0|2,0,0]=4 321 B11R0.154 CCO/C=C/C(=O)N[C@@H](C)CC WXVL_AK00678SB3226 [0,2,0,0,0,0|2,0,0]=4 322 B11R0.154 CCO/C=C/C(=O)N[C@@H](C)CF WXVL_AK00558SB3226 [0,2,0,0,0,0|2,0,0]=4 323 B11R0.154 CCO/C=C/C(=O)N[C@@H](C)CF WXVL_AK00558SB3226 [0,2,0,0,0,0|2,0,0]=4 324 B11R0.154 CCO/C=C/C(=O)N[C@@H](C)CO WXVL_AK0109SB3226 [0,2,0,0,0,0|2,0,0]=4 325 B11R0.154 CCO/C=C/C(=O)N[C@@H](C)CO WXVL_AK0109SB3226 [0,2,0,0,0,0|2,0,0]=4 326 B11R0.165 CCO/C=C/C(=O)NC(C)(C)C WXVL_AK0024SB3226 [0,2,0,0,0,0|2,0,0]=4 327 B11R0.165 CCO/C=C/C(=O)NC(C)(C)C WXVL_AK0024SB3226 [0,2,0,0,0,0|2,0,0]=4 328 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,0]=3 329 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CC WXVL_AK00678SB4144 [0,2,0,0,0,0|1,0,0]=3 330 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB4144 [0,2,0,0,0,0|2,0,0]=4 331 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CF WXVL_AK00558SB4144 [0,2,0,0,0,0|2,0,0]=4 332 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB4144 [0,2,0,0,0,0|2,0,0]=4 333 B11R0.43 CCOC(=O)C(=O)N[C@@H](C)CO WXVL_AK0109SB4144 [0,2,0,0,0,0|2,0,0]=4 334 B11R0.157 CCO/C=C/C(=O)N(CC)CC WXVL_AN0042SB3226 [0,2,0,0,0,0|2,0,0]=4 335 B11R0.157 CCO/C=C/C(=O)N(CC)CC WXVL_AN0042SB3226 [0,2,0,0,0,0|2,0,0]=4 336 B11R0.46 C=C(C)CNC(=O)/C=C/OCC WXVL_AK0761SB3226 [0,2,0,0,0,0|2,0,0]=4 337 B11R0.46 C=C(C)CNC(=O)/C=C/OCC WXVL_AK0761SB3226 [0,2,0,0,0,0|2,0,0]=4 338 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [0,2,0,0,0,0|1,0,1]=4 339 B11R0.46 CCCCNC(=O)COC(C)C WXVL_AK00588SB0213 [0,2,0,0,0,0|1,0,1]=4 340 B11R0.46 CCO/C=C/C(=O)NCC(C)C WXVL_AK00544SB3226 [0,2,0,0,0,0|2,0,0]=4 341 B11R0.46 CCO/C=C/C(=O)NCC(C)C WXVL_AK00544SB3226 [0,2,0,0,0,0|2,0,0]=4 342 B11R0.46 CCO/C=C/C(=O)NCC(C)O WXVL_AK0052SB3226 [0,2,0,0,0,0|2,0,0]=4 343 B11R0.46 CCO/C=C/C(=O)NCC(C)O WXVL_AK0052SB3226 [0,2,0,0,0,0|2,0,0]=4 344 B11R0.46 CCO/C=C/C(=O)NCC(F)F WXVL_AK0136SB3226 [0,2,0,0,0,0|2,0,0]=4 345 B11R0.46 CCO/C=C/C(=O)NCC(F)F WXVL_AK0136SB3226 [0,2,0,0,0,0|2,0,0]=4 346 B11R0.46 CCO/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB3226 [0,2,0,0,0,0|2,0,0]=4 347 B11R0.46 CCO/C=C/C(=O)NC[C@H](C)O WXVL_AK0113SB3226 [0,2,0,0,0,0|2,0,0]=4 348 B11R0.140 C#CCCNC(=O)/C=C/OCC WXVL_AK3109SB3226 [0,2,0,0,0,0|2,0,0]=4 349 B11R0.140 C#CCCNC(=O)/C=C/OCC WXVL_AK3109SB3226 [0,2,0,0,0,0|2,0,0]=4 350 B11R0.140 C=CCCNC(=O)/C=C/OCC WXVL_AK00138SB3226 [0,2,0,0,0,0|2,0,0]=4 351 B11R0.140 C=CCCNC(=O)/C=C/OCC WXVL_AK00138SB3226 [0,2,0,0,0,0|2,0,0]=4 352 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,2,0,0,0,0|1,0,1]=4 353 B11R0.140 CCCCNC(=O)/C=C/OCC WXVL_AK00588SB3226 [0,2,0,0,0,0|1,0,1]=4 354 B11R0.140 CCO/C=C/C(=O)NCCC#N WXVL_AK0087SB3226 [0,2,0,0,0,0|2,0,0]=4 355 B11R0.140 CCO/C=C/C(=O)NCCC#N WXVL_AK0087SB3226 [0,2,0,0,0,0|2,0,0]=4 356 B11R0.140 CCO/C=C/C(=O)NCCCO WXVL_AK0073SB3226 [0,2,0,0,0,0|2,0,0]=4 357 B11R0.140 CCO/C=C/C(=O)NCCCO WXVL_AK0073SB3226 [0,2,0,0,0,0|2,0,0]=4 358 B11R0.140 CCO/C=C/C(=O)NCCSC WXVL_AK00440SB3226 [0,2,0,0,0,0|2,0,0]=4 359 B11R0.140 CCO/C=C/C(=O)NCCSC WXVL_AK00440SB3226 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,1]=4 361 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,1]=4 362 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|2,0,0]=4 363 B9R1.75 CCCC(=O)NC1CC1 WXVL_AK0001SB0073 [1,0,0,1,0,0|2,0,0]=4 364 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,1]=4 365 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,1]=4 366 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|2,0,0]=4 367 B9R1.100 CCCNC(=O)C1CC1 WXVL_AK00504SB0038 [1,0,0,1,0,0|2,0,0]=4 368 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,1]=4 369 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,1]=4 370 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|1,0,1]=4 371 B9R1.11 CCC(=O)N1CCCC1 WXVL_AN0008SB0064 [1,0,0,1,0,0|1,0,1]=4 372 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [1,0,0,1,0,0|1,0,0]=3 373 B9R1.80 CNC(=O)C=CC1CC1 WXVL_AK00442SB4216 [1,0,0,1,0,0|1,0,0]=3 374 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,1,0,1,0,0|1,0,0]=3 375 B11R1.16 CCNC(=O)C1=CCCCO1 WXVL_AK00476SB4858 [0,1,0,1,0,0|1,0,0]=3 376 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|1,0,0]=3 377 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|1,0,0]=3 378 B11R1.199 CCNC(=O)C1=C(OCC1)C WXVL_AK00476SC00025 [0,1,0,1,0,0|2,0,0]=4 379 B11R1.199 CCNC(=O)C1=C(OCC1)C WXVL_AK00476SC00025 [0,1,0,1,0,0|2,0,0]=4 380 B11R1.301 CCO/C=C/C(=O)NC1CC1 WXVL_AK0001SB3226 [0,1,0,1,0,0|2,0,0]=4 381 B11R1.301 CCO/C=C/C(=O)NC1CC1 WXVL_AK0001SB3226 [0,1,0,1,0,0|2,0,0]=4 382 B11R1.485 CC(C)NC(=O)C=CC1CC1 WXVL_AK0030SB4216 [0,1,0,1,0,0|1,0,0]=3 383 B11R1.485 CC(C)NC(=O)C=CC1CC1 WXVL_AK0030SB4216 [0,1,0,1,0,0|1,0,0]=3 384 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|1,0,1]=4 385 B11R1.29 CCOCC(=O)N1CCCC1 WXVL_AN0008SB0091 [0,1,0,1,0,0|1,0,1]=4 386 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,0]=3 387 B11R1.351 CCOC(=O)C(=O)NC1CC1 WXVL_AK0001SB4144 [0,1,0,1,0,0|1,0,0]=3 388 B11R1.526 CCCNC(=O)C(=O)C1CC1 WXVL_AK00504SB3659 [0,1,0,1,0,0|2,0,0]=4 389 B11R1.526 CCCNC(=O)C(=O)C1CC1 WXVL_AK00504SB3659 [0,1,0,1,0,0|2,0,0]=4 390 B11R1.285 C=CCNC(=O)C=CC1CC1 WXVL_AK00561SB4216 [0,1,0,1,0,0|1,0,1]=4 391 B11R1.285 C=CCNC(=O)C=CC1CC1 WXVL_AK00561SB4216 [0,1,0,1,0,0|1,0,1]=4 392 B11R1.285 CCCNC(=O)C=CC1CC1 WXVL_AK00504SB4216 [0,1,0,1,0,0|1,0,0]=3 393 B11R1.285 CCCNC(=O)C=CC1CC1 WXVL_AK00504SB4216 [0,1,0,1,0,0|1,0,0]=3 394 B11R1.285 N#CCNC(=O)C=CC1CC1 WXVL_AK0683SB4216 [0,1,0,1,0,0|1,0,1]=4 395 B11R1.285 N#CCNC(=O)C=CC1CC1 WXVL_AK0683SB4216 [0,1,0,1,0,0|1,0,1]=4 396 B11R1.285 O=C(C=CC1CC1)NCCF WXVL_AK00466SB4216 [0,1,0,1,0,0|1,0,0]=3 397 B11R1.285 O=C(C=CC1CC1)NCCF WXVL_AK00466SB4216 [0,1,0,1,0,0|1,0,0]=3