0 B9R0.5 C#CCC(=O)NCCC=C WXVL_AK00138SB3070 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 C#CCC(=O)NCCC=C WXVL_AK00138SB3070 [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=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,0,0,0,0,0|1,0,0]=1 7 B9R0.5 C=CCCCC(=O)NCC WXVL_AK00476SB2920 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.5 C=CCCNC(=O)/C=C/C WXVL_AK00138SB0340 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.5 C=CCCNC(=O)/C=C/C WXVL_AK00138SB0340 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.5 C=CCCNC(=O)C#CC WXVL_AK00138SB1240 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.5 C=CCCNC(=O)C#CC WXVL_AK00138SB1240 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.5 C=CCCNC(=O)CC#N WXVL_AK00138SB0057 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.5 C=CCCNC(=O)CC#N WXVL_AK00138SB0057 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.5 C=CCCNC(=O)CC=C WXVL_AK00138SB2732 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.5 C=CCCNC(=O)CC=C WXVL_AK00138SB2732 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,0,0,0,0,0|2,0,0]=2 17 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.5 C=CCCNC(=O)COC WXVL_AK00138SB0090 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.5 C=CCCNC(=O)CSC WXVL_AK00138SB1267 [0,0,0,0,0,0|3,0,0]=3 22 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.5 CCCC(=O)NCCC#N WXVL_AK0087SB0073 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.5 CCCC(=O)NCCCO WXVL_AK0073SB0073 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.5 CCCC(=O)NCCSC WXVL_AK00440SB0073 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.5 CCCCNC(=O)CCC WXVL_AK00588SB0073 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.5 CCNC(=O)CCCCBr WXVL_AK00476SB3153 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,0,0,0,0,0|2,0,1]=3 33 B9R0.5 CCNC(=O)CCCCCl WXVL_AK00476SB0379 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.5 CCNC(=O)NCCCCl WXVL_AK00476YV0130 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 37 B8R0.1 C#CCCC(=O)NCC WXVL_AK00476SB2189 [1,0,0,0,0,0|1,0,2]=4 38 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.1 C=CCNC(=O)/C=C/C WXVL_AK00561SB0340 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.1 C=CCNC(=O)C#CC WXVL_AK00561SB1240 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.1 C=CCNC(=O)C#CC WXVL_AK00561SB1240 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [1,0,0,0,0,0|3,0,0]=4 49 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 51 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.1 CCNC(=O)COCC WXVL_AK00476SB0091 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.1 CCNC(=O)CSCC WXVL_AK00476SB0002 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 63 B8R0.1 CCNC(=O)NCCCl WXVL_AK00476YV0092 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.6 C#CC(=O)NCCC=C WXVL_AK00138SB0338 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.6 C#CC(=O)NCCC=C WXVL_AK00138SB0338 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.6 C#CCCNC(=O)CC WXVL_AK3109SB0064 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [1,0,0,0,0,0|1,0,0]=2 72 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [1,0,0,0,0,0|1,0,0]=2 73 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [1,0,0,0,0,0|1,0,0]=2 74 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.6 CCC(=O)NCCC#N WXVL_AK0087SB0064 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.1 C#CCCCNC(=O)CCC WXVL_AK00218SB0073 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.1 C#CCOCCC(=O)NCC WXVL_AK00476SBD927 [0,1,0,0,0,0|1,0,2]=4 92 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,1,0,0,0,0|2,0,1]=4 93 B10R0.1 CCCC(=O)NCCCCO WXVL_AK0075SB0073 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.1 CCCC(=O)NCCCOC WXVL_AK00637SB0073 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.1 CCCC(=O)NCCCSC WXVL_AK0965SB0073 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|1,0,2]=4 99 B10R0.1 CCCCCNC(=O)CCC WXVL_AK0076SB0073 [0,1,0,0,0,0|1,0,2]=4 100 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|1,0,2]=4 101 B10R0.1 CCNC(=O)CCCCCBr WXVL_AK00476SB2192 [0,1,0,0,0,0|1,0,2]=4 102 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|1,0,2]=4 103 B10R0.1 CCNC(=O)CCCCCO WXVL_AK00476SB2973 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,1,0,0,0,0|2,0,1]=4 105 B10R0.1 CCNC(=O)COCCOC WXVL_AK00476SB0159 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.3 CCCC(=O)NCCC(=O)N WXVL_AK00443SB0073 [0,1,0,0,0,0|3,0,0]=4 107 B10R0.3 CCCC(=O)NCCC(=O)N WXVL_AK00443SB0073 [0,1,0,0,0,0|3,0,0]=4 108 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|1,0,2]=4 109 B10R0.3 CCNC(=O)CCC=C(C)C WXVL_AK00476SB00030 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,1,0,0,0,0|1,0,2]=4 111 B10R0.3 CCNC(=O)CCCC(C)C WXVL_AK00476SB1301 [0,1,0,0,0,0|1,0,2]=4 112 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.3 CCNC(=O)CCCN(C)C WXVL_AK00476SB00055 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.3 CCNC(=O)CCNC(=O)C WXVL_AK00476SB0374 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|1,0,1]=3 117 B10R0.3 CCOC(=O)CCNC(=O)C WXVL_AK0465SB0150 [0,1,0,0,0,0|1,0,1]=3 118 B10R0.6 C#CCCCC(=O)NC(C)C WXVL_AK0030SB2709 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.6 C#CCCCC(=O)NC(C)C WXVL_AK0030SB2709 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.6 C=CCCCC(=O)NC(C)C WXVL_AK0030SB2920 [0,1,0,0,0,0|1,0,0]=2 121 B10R0.6 C=CCCCC(=O)NC(C)C WXVL_AK0030SB2920 [0,1,0,0,0,0|1,0,0]=2 122 B10R0.6 C=CCCNC(=O)C=C(C)C WXVL_AK00138SB0342 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.6 C=CCCNC(=O)C=C(C)C WXVL_AK00138SB0342 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.6 C=CCCNC(=O)CC(C)C WXVL_AK00138SB0063 [0,1,0,0,0,0|2,0,0]=3 125 B10R0.6 C=CCCNC(=O)CC(C)C WXVL_AK00138SB0063 [0,1,0,0,0,0|2,0,0]=3 126 B10R0.6 C=CCCNC(=O)CC(C)O WXVL_AK00138SB3643 [0,1,0,0,0,0|2,0,0]=3 127 B10R0.6 C=CCCNC(=O)CC(C)O WXVL_AK00138SB3643 [0,1,0,0,0,0|2,0,0]=3 128 B10R0.6 C=CCCNC(=O)CN(C)C WXVL_AK00138SB0085 [0,1,0,0,0,0|3,0,0]=4 129 B10R0.6 C=CCCNC(=O)CN(C)C WXVL_AK00138SB0085 [0,1,0,0,0,0|3,0,0]=4 130 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.6 CC(C)NC(=O)CCCCBr WXVL_AK0030SB3153 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.6 CC(C)NC(=O)CCCCCl WXVL_AK0030SB0379 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,1]=3 135 B10R0.19 C=CCNC(=O)C(=O)OCC WXVL_AK00561SB4144 [0,1,0,0,0,0|1,0,1]=3 136 B10R0.19 C=CCOC(C)C(=O)NCC WXVL_AK00476SBD933 [0,1,0,0,0,0|2,0,0]=3 137 B10R0.19 C=CCOC(C)C(=O)NCC WXVL_AK00476SBD933 [0,1,0,0,0,0|2,0,0]=3 138 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.19 CCCCC(O)C(=O)NCC WXVL_AK00476SB3429 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.83 C=CCCNC(=O)/C(=C/C)/C WXVL_AK00138SB0343 [0,1,0,0,0,0|2,0,1]=4 141 B10R0.83 C=CCCNC(=O)/C(=C/C)/C WXVL_AK00138SB0343 [0,1,0,0,0,0|2,0,1]=4 142 B10R0.83 C=CCCNC(=O)C(=O)CC WXVL_AK00138SB0344 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.83 C=CCCNC(=O)C(=O)CC WXVL_AK00138SB0344 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.83 C=CCCNC(=O)C(C)CC WXVL_AK00138SB0054 [0,1,0,0,0,0|2,0,0]=3 145 B10R0.83 C=CCCNC(=O)C(C)CC WXVL_AK00138SB0054 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.83 C=CCCNC(=O)[C@@H](C)OC WXVL_AK00138SB2926 [0,1,0,0,0,0|3,0,0]=4 147 B10R0.83 C=CCCNC(=O)[C@@H](C)OC WXVL_AK00138SB2926 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.83 C=CCCNC(=O)[C@@H](O)CC WXVL_AK00138SB3573 [0,1,0,0,0,0|2,0,0]=3 149 B10R0.83 C=CCCNC(=O)[C@@H](O)CC WXVL_AK00138SB3573 [0,1,0,0,0,0|2,0,0]=3 150 B10R0.83 C=CCCNC(=O)[C@H](C)CC WXVL_AK00138SB00054 [0,1,0,0,0,0|2,0,0]=3 151 B10R0.83 C=CCCNC(=O)[C@H](C)CC WXVL_AK00138SB00054 [0,1,0,0,0,0|2,0,0]=3 152 B10R0.91 C#CCCC(=O)NCCC=C WXVL_AK00138SB2189 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.91 C#CCCC(=O)NCCC=C WXVL_AK00138SB2189 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.91 C#CCCCC(=O)NCCC WXVL_AK00504SB2709 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.91 C#CCCCC(=O)NCCF WXVL_AK00466SB2709 [0,1,0,0,0,0|1,0,2]=4 157 B10R0.91 C#CCCCC(=O)NCCF WXVL_AK00466SB2709 [0,1,0,0,0,0|1,0,2]=4 158 B10R0.91 C#CCCNC(=O)COCC WXVL_AK3109SB0091 [0,1,0,0,0,0|1,0,2]=4 159 B10R0.91 C#CCCNC(=O)COCC WXVL_AK3109SB0091 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.91 C=CCCCC(=O)NCC#N WXVL_AK0683SB2920 [0,1,0,0,0,0|1,0,1]=3 161 B10R0.91 C=CCCCC(=O)NCC#N WXVL_AK0683SB2920 [0,1,0,0,0,0|1,0,1]=3 162 B10R0.91 C=CCCCC(=O)NCC=C WXVL_AK00561SB2920 [0,1,0,0,0,0|1,0,1]=3 163 B10R0.91 C=CCCCC(=O)NCC=C WXVL_AK00561SB2920 [0,1,0,0,0,0|1,0,1]=3 164 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [0,1,0,0,0,0|1,0,0]=2 165 B10R0.91 C=CCCCC(=O)NCCC WXVL_AK00504SB2920 [0,1,0,0,0,0|1,0,0]=2 166 B10R0.91 C=CCCCC(=O)NCCF WXVL_AK00466SB2920 [0,1,0,0,0,0|1,0,0]=2 167 B10R0.91 C=CCCCC(=O)NCCF WXVL_AK00466SB2920 [0,1,0,0,0,0|1,0,0]=2 168 B10R0.91 C=CCCNC(=O)/C=C/CBr WXVL_AK00138SB0424 [0,1,0,0,0,0|2,0,1]=4 169 B10R0.91 C=CCCNC(=O)/C=C/CBr WXVL_AK00138SB0424 [0,1,0,0,0,0|2,0,1]=4 170 B10R0.91 C=CCCNC(=O)CCC=C WXVL_AK00138SB1035 [0,1,0,0,0,0|2,0,1]=4 171 B10R0.91 C=CCCNC(=O)CCC=C WXVL_AK00138SB1035 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.91 C=CCCNC(=O)CCOC WXVL_AK00138SB0156 [0,1,0,0,0,0|2,0,0]=3 173 B10R0.91 C=CCCNC(=O)CCOC WXVL_AK00138SB0156 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.91 C=CCCNC(=O)CCSC WXVL_AK00138SB0361 [0,1,0,0,0,0|2,0,0]=3 175 B10R0.91 C=CCCNC(=O)CCSC WXVL_AK00138SB0361 [0,1,0,0,0,0|2,0,0]=3 176 B10R0.91 C=CCCNC(=O)COCC WXVL_AK00138SB0091 [0,1,0,0,0,0|1,0,0]=2 177 B10R0.91 C=CCCNC(=O)COCC WXVL_AK00138SB0091 [0,1,0,0,0,0|1,0,0]=2 178 B10R0.91 C=CCCNC(=O)CSCC WXVL_AK00138SB0002 [0,1,0,0,0,0|1,1,0]=3 179 B10R0.91 C=CCCNC(=O)CSCC WXVL_AK00138SB0002 [0,1,0,0,0,0|1,1,0]=3 180 B10R0.91 C=CCCNC(=O)NCCCl WXVL_AK00138YV0092 [0,1,0,0,0,0|2,0,0]=3 181 B10R0.91 C=CCCNC(=O)NCCCl WXVL_AK00138YV0092 [0,1,0,0,0,0|2,0,0]=3 182 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,1,0,0,0,0|1,0,2]=4 183 B10R0.91 CCCCNC(=O)COCC WXVL_AK00588SB0091 [0,1,0,0,0,0|1,0,2]=4 184 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,1,0,0,0,0|2,0,1]=4 185 B10R0.91 CCCNC(=O)CCCCBr WXVL_AK00504SB3153 [0,1,0,0,0,0|2,0,1]=4 186 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,1,0,0,0,0|2,0,1]=4 187 B10R0.91 CCCNC(=O)CCCCCl WXVL_AK00504SB0379 [0,1,0,0,0,0|2,0,1]=4 188 B10R0.91 CCOCC(=O)NCCC#N WXVL_AK0087SB0091 [0,1,0,0,0,0|2,0,1]=4 189 B10R0.91 CCOCC(=O)NCCC#N WXVL_AK0087SB0091 [0,1,0,0,0,0|2,0,1]=4 190 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,1,0,0,0,0|2,0,1]=4 191 B10R0.91 CCOCC(=O)NCCCO WXVL_AK0073SB0091 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.91 CCOCC(=O)NCCSC WXVL_AK00440SB0091 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,1,0,0,0,0|2,0,1]=4 195 B10R0.91 O=C(CCCCBr)NCCF WXVL_AK00466SB3153 [0,1,0,0,0,0|2,0,1]=4 196 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,1,0,0,0,0|2,0,1]=4 197 B10R0.91 O=C(CCCCCl)NCCF WXVL_AK00466SB0379 [0,1,0,0,0,0|2,0,1]=4 198 B10R0.108 C=CC(=O)NCC(=O)NCC WXVL_AK00476SB9931 [0,1,0,0,0,0|2,0,1]=4 199 B10R0.108 C=CC(=O)NCC(=O)NCC WXVL_AK00476SB9931 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.156 C=CCCNS(=O)(=O)CCC WXVL_AK00138HU0030 [0,1,0,0,0,0|3,0,0]=4 201 B10R0.156 C=CCCNS(=O)(=O)CCC WXVL_AK00138HU0030 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,2]=4 203 B10R1.11 CCNC(=O)C1CCCC1 WXVL_AK00476SB0043 [0,0,0,1,0,0|1,0,2]=4 204 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,1]=4 205 B10R1.11 CCNC(=O)C1CCCO1 WXVL_AK00476SB1033 [0,0,0,1,0,0|2,0,1]=4 206 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,1]=4 207 B10R1.11 CCNC(=O)C1CCCS1 WXVL_AK00476SB0022 [0,0,0,1,0,0|2,0,1]=4 208 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.11 CCNC(=O)[C@H]1CCCO1 WXVL_AK00476SB00043 [0,0,0,1,0,0|2,0,1]=4 210 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,1,0,0|1,0,2]=4 211 B10R1.137 CCNC(=O)CC1CCC1 WXVL_AK00476SB2207 [0,0,0,1,0,0|1,0,2]=4 212 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,1,0,0|1,0,2]=4 213 B10R1.138 CCNC(=O)CCC1CC1 WXVL_AK00476SB5360 [0,0,0,1,0,0|1,0,2]=4 214 B10R1.186 C=CCCNC(=O)C1CC1 WXVL_AK00138SB0038 [0,0,0,1,0,0|2,0,0]=3 215 B10R1.186 C=CCCNC(=O)C1CC1 WXVL_AK00138SB0038 [0,0,0,1,0,0|2,0,0]=3 216 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [2,0,0,0,0,0|1,0,0]=3 217 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [2,0,0,0,0,0|1,0,0]=3 219 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [2,0,0,0,0,0|1,0,0]=3 220 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [2,0,0,0,0,0|2,0,0]=4 221 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [2,0,0,0,0,0|2,0,0]=4 222 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 223 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [2,0,0,0,0,0|2,0,0]=4 224 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,1]=4 225 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [2,0,0,0,0,0|1,0,1]=4 226 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [2,0,0,0,0,0|1,0,0]=3 228 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 229 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [2,0,0,0,0,0|1,0,0]=3 230 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 231 B7R0.7 CCNC(=O)COC WXVL_AK00476SB0090 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [2,0,0,0,0,0|1,0,0]=3 235 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [2,0,0,0,0,0|1,0,0]=3 236 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [2,0,0,0,0,0|1,0,0]=3 237 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [2,0,0,0,0,0|1,0,0]=3 238 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [1,1,0,0,0,0|1,0,0]=3 239 B9R0.4 C=CCCC(=O)NC(C)C WXVL_AK0030SB1035 [1,1,0,0,0,0|1,0,0]=3 240 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [1,1,0,0,0,0|2,0,0]=4 243 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [1,1,0,0,0,0|2,0,0]=4 244 B9R0.8 C=CCNC(=O)C(=O)CC WXVL_AK00561SB0344 [1,1,0,0,0,0|2,0,0]=4 245 B9R0.8 C=CCNC(=O)C(=O)CC WXVL_AK00561SB0344 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [1,1,0,0,0,0|2,0,0]=4 247 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [1,1,0,0,0,0|2,0,0]=4 248 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [1,1,0,0,0,0|2,0,0]=4 249 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [1,1,0,0,0,0|2,0,0]=4 250 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [1,1,0,0,0,0|2,0,0]=4 251 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [1,1,0,0,0,0|2,0,0]=4 252 B9R0.18 C=CCCC(=O)NCC#N WXVL_AK0683SB1035 [1,1,0,0,0,0|1,0,1]=4 253 B9R0.18 C=CCCC(=O)NCC#N WXVL_AK0683SB1035 [1,1,0,0,0,0|1,0,1]=4 254 B9R0.18 C=CCCC(=O)NCC=C WXVL_AK00561SB1035 [1,1,0,0,0,0|1,0,1]=4 255 B9R0.18 C=CCCC(=O)NCC=C WXVL_AK00561SB1035 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,1,0,0,0,0|1,0,0]=3 257 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [1,1,0,0,0,0|1,0,0]=3 258 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [1,1,0,0,0,0|1,0,0]=3 259 B9R0.18 C=CCCC(=O)NCCF WXVL_AK00466SB1035 [1,1,0,0,0,0|1,0,0]=3 260 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [1,1,0,0,0,0|2,0,0]=4 261 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [1,1,0,0,0,0|2,0,0]=4 262 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [1,1,0,0,0,0|2,0,0]=4 264 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [1,1,0,0,0,0|1,0,0]=3 265 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [1,1,0,0,0,0|1,0,0]=3 266 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [1,1,0,0,0,0|1,1,0]=4 267 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [1,1,0,0,0,0|1,1,0]=4 268 B9R0.18 C=CCNC(=O)NCCCl WXVL_AK00561YV0092 [1,1,0,0,0,0|2,0,0]=4 269 B9R0.18 C=CCNC(=O)NCCCl WXVL_AK00561YV0092 [1,1,0,0,0,0|2,0,0]=4 270 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,1]=4 271 B9R0.18 CCCNC(=O)COCC WXVL_AK00504SB0091 [1,1,0,0,0,0|1,0,1]=4 272 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 273 B9R0.18 CCOCC(=O)NCCF WXVL_AK00466SB0091 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [1,1,0,0,0,0|2,0,0]=4 275 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [1,1,0,0,0,0|2,0,0]=4 276 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.34 CCNC(=O)CC(C)CC WXVL_AK00476SB0353 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,1]=4 279 B9R0.34 CCNC(=O)CC(O)CC WXVL_AK00476SB4092 [1,1,0,0,0,0|1,0,1]=4 280 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,1]=4 281 B9R0.34 CCNC(=O)C[C@H](C)CC WXVL_AK00476SB8650 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.35 CCCC(C)C(=O)NCC WXVL_AK00476SB0352 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.35 CCC[C@H](O)C(=O)NCC WXVL_AK00476SB3627 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [1,1,0,0,0,0|2,0,0]=4 287 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [1,1,0,0,0,0|2,0,0]=4 288 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.48 CCNC(=O)CCC(=O)C WXVL_AK00476SB0072 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [1,1,0,0,0,0|2,0,0]=4 291 B9R0.48 CCNC(=O)CCC(=O)N WXVL_AK00476SB0358 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.48 CCNC(=O)CCC(C)C WXVL_AK00476SB0354 [1,1,0,0,0,0|1,0,1]=4 294 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.1 CCC(=O)NCCC(=O)N WXVL_AK00443SB0064 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.20 C=CCCNS(=O)(=O)CC WXVL_AK00138HU0028 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.20 C=CCCNS(=O)(=O)CC WXVL_AK00138HU0028 [1,1,0,0,0,0|2,0,0]=4 298 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [1,1,0,0,0,0|1,0,0]=3 299 B9R0.47 C=CCCCC(=O)N(C)C WXVL_AN0032SB2920 [1,1,0,0,0,0|1,0,0]=3 300 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.47 C=CCCNC(=O)C(=O)C WXVL_AK00138SB0051 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [1,1,0,0,0,0|1,0,0]=3 303 B9R0.47 C=CCCNC(=O)C(C)C WXVL_AK00138SB0052 [1,1,0,0,0,0|1,0,0]=3 304 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [1,1,0,0,0,0|1,0,0]=3 305 B9R0.47 C=CCCNC(=O)C(C)S WXVL_AK00138SB2708 [1,1,0,0,0,0|1,0,0]=3 306 B9R0.47 C=CCCNC(=O)C(F)F WXVL_AK00138SB0079 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.47 C=CCCNC(=O)C(F)F WXVL_AK00138SB0079 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [1,1,0,0,0,0|1,0,0]=3 309 B9R0.47 C=CCCNC(=O)[C@@H](C)O WXVL_AK00138SB1085 [1,1,0,0,0,0|1,0,0]=3 310 B11R0.4 C=COCCCNC(=O)/C=C/C WXVL_AK7221SB0340 [0,2,0,0,0,0|1,0,1]=4 311 B11R0.4 C=COCCCNC(=O)/C=C/C WXVL_AK7221SB0340 [0,2,0,0,0,0|1,0,1]=4 312 B11R0.4 C=COCCCNC(=O)C#CC WXVL_AK7221SB1240 [0,2,0,0,0,0|1,0,1]=4 313 B11R0.4 C=COCCCNC(=O)C#CC WXVL_AK7221SB1240 [0,2,0,0,0,0|1,0,1]=4 314 B11R0.4 C=COCCCNC(=O)CCC WXVL_AK7221SB0073 [0,2,0,0,0,0|1,0,0]=3 315 B11R0.4 C=COCCCNC(=O)CCC WXVL_AK7221SB0073 [0,2,0,0,0,0|1,0,0]=3 316 B11R0.4 C=COCCCNC(=O)COC WXVL_AK7221SB0090 [0,2,0,0,0,0|2,0,0]=4 317 B11R0.4 C=COCCCNC(=O)COC WXVL_AK7221SB0090 [0,2,0,0,0,0|2,0,0]=4 318 B11R0.4 C=COCCCNC(=O)CSC WXVL_AK7221SB1267 [0,2,0,0,0,0|2,0,0]=4 319 B11R0.4 C=COCCCNC(=O)CSC WXVL_AK7221SB1267 [0,2,0,0,0,0|2,0,0]=4 320 B11R0.5 C=CCNC(=O)CC(=O)OCC WXVL_AK00561SB3094 [0,2,0,0,0,0|0,0,1]=3 321 B11R0.5 C=CCNC(=O)CC(=O)OCC WXVL_AK00561SB3094 [0,2,0,0,0,0|0,0,1]=3 322 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,2,0,0,0,0|0,0,2]=4 323 B11R0.81 C#CCCCNC(=O)COCC WXVL_AK00218SB0091 [0,2,0,0,0,0|0,0,2]=4 324 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,2,0,0,0,0|0,0,2]=4 325 B11R0.81 CCCCCNC(=O)COCC WXVL_AK0076SB0091 [0,2,0,0,0,0|0,0,2]=4 326 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,2,0,0,0,0|1,0,1]=4 327 B11R0.81 CCOCC(=O)NCCCCO WXVL_AK0075SB0091 [0,2,0,0,0,0|1,0,1]=4 328 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,2,0,0,0,0|1,0,1]=4 329 B11R0.81 CCOCC(=O)NCCCOC WXVL_AK00637SB0091 [0,2,0,0,0,0|1,0,1]=4 330 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,2,0,0,0,0|1,0,1]=4 331 B11R0.81 CCOCC(=O)NCCCSC WXVL_AK0965SB0091 [0,2,0,0,0,0|1,0,1]=4 332 B11R0.155 C=CCCCC(=O)N(C)CC#N WXVL_AN2942SB2920 [0,2,0,0,0,0|1,0,1]=4 333 B11R0.155 C=CCCCC(=O)N(C)CC#N WXVL_AN2942SB2920 [0,2,0,0,0,0|1,0,1]=4 334 B11R0.155 C=CCCCC(=O)N(C)CCO WXVL_AN2670SB2920 [0,2,0,0,0,0|1,0,0]=3 335 B11R0.155 C=CCCCC(=O)N(C)CCO WXVL_AN2670SB2920 [0,2,0,0,0,0|1,0,0]=3 336 B11R0.155 C=CCCNC(=O)/C(=C/CC)/C WXVL_AK00138SB0037 [0,2,0,0,0,0|2,0,0]=4 337 B11R0.155 C=CCCNC(=O)/C(=C/CC)/C WXVL_AK00138SB0037 [0,2,0,0,0,0|2,0,0]=4 338 B11R0.155 C=CCCNC(=O)C(=O)OCC WXVL_AK00138SB4144 [0,2,0,0,0,0|0,0,1]=3 339 B11R0.155 C=CCCNC(=O)C(=O)OCC WXVL_AK00138SB4144 [0,2,0,0,0,0|0,0,1]=3 340 B11R0.155 C=CCCNC(=O)C(C)CCC WXVL_AK00138SB0352 [0,2,0,0,0,0|2,0,0]=4 341 B11R0.155 C=CCCNC(=O)C(C)CCC WXVL_AK00138SB0352 [0,2,0,0,0,0|2,0,0]=4 342 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC WXVL_AK00138SB3627 [0,2,0,0,0,0|2,0,0]=4 343 B11R0.155 C=CCCNC(=O)[C@@H](O)CCC WXVL_AK00138SB3627 [0,2,0,0,0,0|2,0,0]=4 344 B11R0.174 C#CC(=O)NCCC(=O)OCC WXVL_AK0465SB0338 [0,2,0,0,0,0|1,0,1]=4 345 B11R0.174 C#CC(=O)NCCC(=O)OCC WXVL_AK0465SB0338 [0,2,0,0,0,0|1,0,1]=4 346 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,2,0,0,0,0|1,0,1]=4 347 B11R0.174 CCOC(=O)CCNC(=O)CC WXVL_AK0465SB0064 [0,2,0,0,0,0|1,0,1]=4 348 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,2,0,0,0,0|1,0,1]=4 349 B11R0.174 CCOC(=O)CCNC(=O)CO WXVL_AK0465SB2706 [0,2,0,0,0,0|1,0,1]=4 350 B11R0.182 C=CCC(CO)NC(=O)CCC WXVL_AK00621SB0073 [0,2,0,0,0,0|2,0,0]=4 351 B11R0.182 C=CCC(CO)NC(=O)CCC WXVL_AK00621SB0073 [0,2,0,0,0,0|2,0,0]=4 352 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 353 B11R0.59 C=C(C)CNC(=O)C(=O)OCC WXVL_AK0761SB4144 [0,2,0,0,0,0|1,0,1]=4 354 B11R0.147 CCOCC(=O)NCCC(=O)N WXVL_AK00443SB0091 [0,2,0,0,0,0|2,0,0]=4 355 B11R0.147 CCOCC(=O)NCCC(=O)N WXVL_AK00443SB0091 [0,2,0,0,0,0|2,0,0]=4 356 B11R0.68 C=CCOC(C)C(=O)NC(C)C WXVL_AK0030SBD933 [0,2,0,0,0,0|2,0,0]=4 357 B11R0.68 C=CCOC(C)C(=O)NC(C)C WXVL_AK0030SBD933 [0,2,0,0,0,0|2,0,0]=4 358 B11R0.139 C=CCCCC(=O)N(C)C(C)C WXVL_AN0073SB2920 [0,2,0,0,0,0|1,0,0]=3 359 B11R0.139 C=CCCCC(=O)N(C)C(C)C WXVL_AN0073SB2920 [0,2,0,0,0,0|1,0,0]=3 360 B11R0.139 C=CCCNC(=O)C(=O)C(C)C WXVL_AK00138SB2578 [0,2,0,0,0,0|2,0,0]=4 361 B11R0.139 C=CCCNC(=O)C(=O)C(C)C WXVL_AK00138SB2578 [0,2,0,0,0,0|2,0,0]=4 362 B11R0.139 C=CCCNC(=O)C(O)C(C)C WXVL_AK00138SB1147 [0,2,0,0,0,0|2,0,0]=4 363 B11R0.139 C=CCCNC(=O)C(O)C(C)C WXVL_AK00138SB1147 [0,2,0,0,0,0|2,0,0]=4 364 B11R0.154 C#C[C@@H](C)NC(=O)CCCC=C WXVL_AK00735SB2920 [0,2,0,0,0,0|1,0,0]=3 365 B11R0.154 C#C[C@@H](C)NC(=O)CCCC=C WXVL_AK00735SB2920 [0,2,0,0,0,0|1,0,0]=3 366 B11R0.154 C=CCCCC(=O)NC(C)C#N WXVL_AK00810SB2920 [0,2,0,0,0,0|1,0,0]=3 367 B11R0.154 C=CCCCC(=O)NC(C)C#N WXVL_AK00810SB2920 [0,2,0,0,0,0|1,0,0]=3 368 B11R0.154 C=CCCCC(=O)NC(C)C=C WXVL_AK00769SB2920 [0,2,0,0,0,0|1,0,0]=3 369 B11R0.154 C=CCCCC(=O)NC(C)C=C WXVL_AK00769SB2920 [0,2,0,0,0,0|1,0,0]=3 370 B11R0.154 C=CCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2920 [0,2,0,0,0,0|1,0,0]=3 371 B11R0.154 C=CCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB2920 [0,2,0,0,0,0|1,0,0]=3 372 B11R0.154 C=CCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2920 [0,2,0,0,0,0|1,0,0]=3 373 B11R0.154 C=CCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB2920 [0,2,0,0,0,0|1,0,0]=3 374 B11R0.154 C=CCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2920 [0,2,0,0,0,0|1,0,0]=3 375 B11R0.154 C=CCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB2920 [0,2,0,0,0,0|1,0,0]=3 376 B11R0.154 C=CCCNC(=O)CC(C)CC WXVL_AK00138SB0353 [0,2,0,0,0,0|2,0,0]=4 377 B11R0.154 C=CCCNC(=O)CC(C)CC WXVL_AK00138SB0353 [0,2,0,0,0,0|2,0,0]=4 378 B11R0.154 C=CCCNC(=O)CC(O)CC WXVL_AK00138SB4092 [0,2,0,0,0,0|2,0,0]=4 379 B11R0.154 C=CCCNC(=O)CC(O)CC WXVL_AK00138SB4092 [0,2,0,0,0,0|2,0,0]=4 380 B11R0.154 C=CCCNC(=O)C[C@H](C)CC WXVL_AK00138SB8650 [0,2,0,0,0,0|2,0,0]=4 381 B11R0.154 C=CCCNC(=O)C[C@H](C)CC WXVL_AK00138SB8650 [0,2,0,0,0,0|2,0,0]=4 382 B11R0.165 C=CCCCC(=O)NC(C)(C)C WXVL_AK0024SB2920 [0,2,0,0,0,0|1,0,0]=3 383 B11R0.165 C=CCCCC(=O)NC(C)(C)C WXVL_AK0024SB2920 [0,2,0,0,0,0|1,0,0]=3 384 B11R0.165 C=CCCNC(=O)CC(C)(C)C WXVL_AK00138SB0062 [0,2,0,0,0,0|2,0,0]=4 385 B11R0.165 C=CCCNC(=O)CC(C)(C)C WXVL_AK00138SB0062 [0,2,0,0,0,0|2,0,0]=4 386 B11R0.165 C=CCCNC(=O)CC(C)(C)O WXVL_AK00138SB0163 [0,2,0,0,0,0|2,0,0]=4 387 B11R0.165 C=CCCNC(=O)CC(C)(C)O WXVL_AK00138SB0163 [0,2,0,0,0,0|2,0,0]=4 388 B11R0.11 C=CCOC(C)C(=O)NCCC WXVL_AK00504SBD933 [0,2,0,0,0,0|2,0,0]=4 389 B11R0.11 C=CCOC(C)C(=O)NCCC WXVL_AK00504SBD933 [0,2,0,0,0,0|2,0,0]=4 390 B11R0.11 C=CCOC(C)C(=O)NCCF WXVL_AK00466SBD933 [0,2,0,0,0,0|2,0,0]=4 391 B11R0.11 C=CCOC(C)C(=O)NCCF WXVL_AK00466SBD933 [0,2,0,0,0,0|2,0,0]=4 392 B11R0.43 C=CC(C)NC(=O)C(=O)OCC WXVL_AK00769SB4144 [0,2,0,0,0,0|1,0,1]=4 393 B11R0.43 C=CC(C)NC(=O)C(=O)OCC WXVL_AK00769SB4144 [0,2,0,0,0,0|1,0,1]=4 394 B11R0.87 C=CCCNC(=O)C(C)(C)CC WXVL_AK00138SB0355 [0,2,0,0,0,0|2,0,0]=4 395 B11R0.87 C=CCCNC(=O)C(C)(C)CC WXVL_AK00138SB0355 [0,2,0,0,0,0|2,0,0]=4 396 B11R0.87 C=CCCNC(=O)C(C)(O)CC WXVL_AK00138SB3009 [0,2,0,0,0,0|2,0,0]=4 397 B11R0.87 C=CCCNC(=O)C(C)(O)CC WXVL_AK00138SB3009 [0,2,0,0,0,0|2,0,0]=4 398 B11R0.157 C=CCCCC(=O)N(CC)CC WXVL_AN0042SB2920 [0,2,0,0,0,0|1,0,0]=3 399 B11R0.157 C=CCCCC(=O)N(CC)CC WXVL_AN0042SB2920 [0,2,0,0,0,0|1,0,0]=3 400 B11R0.157 C=CCCNC(=O)C(CC)CC WXVL_AK00138SB0055 [0,2,0,0,0,0|2,0,0]=4 401 B11R0.157 C=CCCNC(=O)C(CC)CC WXVL_AK00138SB0055 [0,2,0,0,0,0|2,0,0]=4 402 B11R0.46 C=CCCCC(=O)NCC(=C)C WXVL_AK0761SB2920 [0,2,0,0,0,0|1,0,0]=3 403 B11R0.46 C=CCCCC(=O)NCC(=C)C WXVL_AK0761SB2920 [0,2,0,0,0,0|1,0,0]=3 404 B11R0.46 C=CCCCC(=O)NCC(=O)N WXVL_AK0147SB2920 [0,2,0,0,0,0|1,0,1]=4 405 B11R0.46 C=CCCCC(=O)NCC(=O)N WXVL_AK0147SB2920 [0,2,0,0,0,0|1,0,1]=4 406 B11R0.46 C=CCCCC(=O)NCC(C)C WXVL_AK00544SB2920 [0,2,0,0,0,0|1,0,0]=3 407 B11R0.46 C=CCCCC(=O)NCC(C)C WXVL_AK00544SB2920 [0,2,0,0,0,0|1,0,0]=3 408 B11R0.46 C=CCCCC(=O)NCC(C)O WXVL_AK0052SB2920 [0,2,0,0,0,0|1,0,0]=3 409 B11R0.46 C=CCCCC(=O)NCC(C)O WXVL_AK0052SB2920 [0,2,0,0,0,0|1,0,0]=3 410 B11R0.46 C=CCCCC(=O)NCC(F)F WXVL_AK0136SB2920 [0,2,0,0,0,0|1,0,0]=3 411 B11R0.46 C=CCCCC(=O)NCC(F)F WXVL_AK0136SB2920 [0,2,0,0,0,0|1,0,0]=3 412 B11R0.46 C=CCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2920 [0,2,0,0,0,0|1,0,0]=3 413 B11R0.46 C=CCCCC(=O)NC[C@H](C)O WXVL_AK0113SB2920 [0,2,0,0,0,0|1,0,0]=3 414 B11R0.46 C=CCCNC(=O)/C=C/C(C)C WXVL_AK00138SB0036 [0,2,0,0,0,0|2,0,0]=4 415 B11R0.46 C=CCCNC(=O)/C=C/C(C)C WXVL_AK00138SB0036 [0,2,0,0,0,0|2,0,0]=4 416 B11R0.46 C=CCCNC(=O)CCC(=O)C WXVL_AK00138SB0072 [0,2,0,0,0,0|2,0,0]=4 417 B11R0.46 C=CCCNC(=O)CCC(=O)C WXVL_AK00138SB0072 [0,2,0,0,0,0|2,0,0]=4 418 B11R0.46 C=CCCNC(=O)CCC(C)C WXVL_AK00138SB0354 [0,2,0,0,0,0|2,0,0]=4 419 B11R0.46 C=CCCNC(=O)CCC(C)C WXVL_AK00138SB0354 [0,2,0,0,0,0|2,0,0]=4 420 B11R0.46 C=CCCNC(=O)CCN(C)C WXVL_AK00138SB00052 [0,2,0,0,0,0|2,0,0]=4 421 B11R0.46 C=CCCNC(=O)CCN(C)C WXVL_AK00138SB00052 [0,2,0,0,0,0|2,0,0]=4 422 B11R0.46 C=CCCNC(=O)COC(=O)C WXVL_AK00138SB2824 [0,2,0,0,0,0|1,0,1]=4 423 B11R0.46 C=CCCNC(=O)COC(=O)C WXVL_AK00138SB2824 [0,2,0,0,0,0|1,0,1]=4 424 B11R0.46 C=CCCNC(=O)COC(C)C WXVL_AK00138SB0213 [0,2,0,0,0,0|1,0,0]=3 425 B11R0.46 C=CCCNC(=O)COC(C)C WXVL_AK00138SB0213 [0,2,0,0,0,0|1,0,0]=3 426 B11R0.140 C#CCCCC(=O)NCCC=C WXVL_AK00138SB2709 [0,2,0,0,0,0|2,0,0]=4 427 B11R0.140 C#CCCCC(=O)NCCC=C WXVL_AK00138SB2709 [0,2,0,0,0,0|2,0,0]=4 428 B11R0.140 C#CCCNC(=O)CCCC=C WXVL_AK3109SB2920 [0,2,0,0,0,0|1,0,0]=3 429 B11R0.140 C#CCCNC(=O)CCCC=C WXVL_AK3109SB2920 [0,2,0,0,0,0|1,0,0]=3 430 B11R0.140 C=CCCCC(=O)NCCC#N WXVL_AK0087SB2920 [0,2,0,0,0,0|1,0,0]=3 431 B11R0.140 C=CCCCC(=O)NCCC#N WXVL_AK0087SB2920 [0,2,0,0,0,0|1,0,0]=3 432 B11R0.140 C=CCCCC(=O)NCCC=C WXVL_AK00138SB2920 [0,2,0,0,0,0|1,0,0]=3 433 B11R0.140 C=CCCCC(=O)NCCC=C WXVL_AK00138SB2920 [0,2,0,0,0,0|1,0,0]=3 434 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,2,0,0,0,0|1,0,0]=3 435 B11R0.140 C=CCCCC(=O)NCCCC WXVL_AK00588SB2920 [0,2,0,0,0,0|1,0,0]=3 436 B11R0.140 C=CCCCC(=O)NCCCO WXVL_AK0073SB2920 [0,2,0,0,0,0|1,0,0]=3 437 B11R0.140 C=CCCCC(=O)NCCCO WXVL_AK0073SB2920 [0,2,0,0,0,0|1,0,0]=3 438 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [0,2,0,0,0,0|1,0,0]=3 439 B11R0.140 C=CCCCC(=O)NCCSC WXVL_AK00440SB2920 [0,2,0,0,0,0|1,0,0]=3 440 B11R0.140 C=CCCNC(=O)/C=C/OCC WXVL_AK00138SB3226 [0,2,0,0,0,0|1,0,0]=3 441 B11R0.140 C=CCCNC(=O)/C=C/OCC WXVL_AK00138SB3226 [0,2,0,0,0,0|1,0,0]=3 442 B11R0.140 C=CCCNC(=O)C/C=C/CC WXVL_AK00138SB0349 [0,2,0,0,0,0|2,0,0]=4 443 B11R0.140 C=CCCNC(=O)C/C=C/CC WXVL_AK00138SB0349 [0,2,0,0,0,0|2,0,0]=4 444 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,2,0,0,0,0|2,0,0]=4 445 B11R0.140 C=CCCNC(=O)CCCCBr WXVL_AK00138SB3153 [0,2,0,0,0,0|2,0,0]=4 446 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,2,0,0,0,0|2,0,0]=4 447 B11R0.140 C=CCCNC(=O)CCCCCl WXVL_AK00138SB0379 [0,2,0,0,0,0|2,0,0]=4 448 B11R0.140 C=CCCNC(=O)NCCCCl WXVL_AK00138YV0130 [0,2,0,0,0,0|2,0,0]=4 449 B11R0.140 C=CCCNC(=O)NCCCCl WXVL_AK00138YV0130 [0,2,0,0,0,0|2,0,0]=4 450 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,1]=4 451 B9R1.73 CCNC(=O)C1CCC1 WXVL_AK00476SB0042 [1,0,0,1,0,0|1,0,1]=4 452 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,1]=4 453 B9R1.75 CCNC(=O)CC1CC1 WXVL_AK00476SB0155 [1,0,0,1,0,0|1,0,1]=4 454 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [1,0,0,1,0,0|2,0,0]=4 455 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [1,0,0,1,0,0|2,0,0]=4 456 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,1]=4 457 B9R1.183 CCNC(=O)C1CC1C WXVL_AK00476SB0041 [1,0,0,1,0,0|1,0,1]=4 458 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 459 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00476SB1245 [1,0,0,1,0,0|2,0,0]=4 460 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 461 B9R1.183 CCNC(=O)[C@H]1C[C@H]1F WXVL_AK00476SB00019 [1,0,0,1,0,0|2,0,0]=4 462 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|2,0,0]=4 463 B11R1.16 CCNC(=O)C1=COCCC1 WXVL_AK00476SB2928 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,1,0,1,0,0|1,0,0]=3 465 B11R1.16 CCNC(=O)C1CC=CCC1 WXVL_AK00476SB3640 [0,1,0,1,0,0|1,0,0]=3 466 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00476SB0126 [0,1,0,1,0,0|2,0,0]=4 467 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK00476SB0126 [0,1,0,1,0,0|2,0,0]=4 468 B11R1.90 NC(=O)CCN1CCOC1=O WXVL_AK0084SB0844 [0,1,0,1,0,0|2,0,0]=4 469 B11R1.90 NC(=O)CCN1CCOC1=O WXVL_AK0084SB0844 [0,1,0,1,0,0|2,0,0]=4 470 B11R1.301 C=CCCCC(=O)NC1CC1 WXVL_AK0001SB2920 [0,1,0,1,0,0|1,0,0]=3 471 B11R1.301 C=CCCCC(=O)NC1CC1 WXVL_AK0001SB2920 [0,1,0,1,0,0|1,0,0]=3 472 B11R1.301 C=CCCNC(=O)CC1CC1 WXVL_AK00138SB0155 [0,1,0,1,0,0|2,0,0]=4 473 B11R1.301 C=CCCNC(=O)CC1CC1 WXVL_AK00138SB0155 [0,1,0,1,0,0|2,0,0]=4 474 B11R1.1034 C=CCCNC(=O)C1CC1C WXVL_AK00138SB0041 [0,1,0,1,0,0|2,0,0]=4 475 B11R1.1034 C=CCCNC(=O)C1CC1C WXVL_AK00138SB0041 [0,1,0,1,0,0|2,0,0]=4 476 B11R1.1034 C=CCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00138SB1245 [0,1,0,1,0,0|2,0,0]=4 477 B11R1.1034 C=CCCNC(=O)[C@@H]1C[C@@H]1F WXVL_AK00138SB1245 [0,1,0,1,0,0|2,0,0]=4 478 B11R1.1034 C=CCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00138SB00019 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.1034 C=CCCNC(=O)[C@H]1C[C@H]1F WXVL_AK00138SB00019 [0,1,0,1,0,0|2,0,0]=4 480 B11R1.299 C=CCCNC(=O)C1CCC1 WXVL_AK00138SB0042 [0,1,0,1,0,0|2,0,0]=4 481 B11R1.299 C=CCCNC(=O)C1CCC1 WXVL_AK00138SB0042 [0,1,0,1,0,0|2,0,0]=4 482 B11R1.300 C=CCCNC(=O)C1(CC1)Br WXVL_AK00138SB5517 [0,1,0,1,0,0|2,0,0]=4 483 B11R1.300 C=CCCNC(=O)C1(CC1)Br WXVL_AK00138SB5517 [0,1,0,1,0,0|2,0,0]=4 484 B11R1.300 C=CCCNC(=O)C1(CC1)C WXVL_AK00138SB0040 [0,1,0,1,0,0|2,0,0]=4 485 B11R1.300 C=CCCNC(=O)C1(CC1)C WXVL_AK00138SB0040 [0,1,0,1,0,0|2,0,0]=4 486 B11R1.300 C=CCCNC(=O)C1(CC1)F WXVL_AK00138SB0218 [0,1,0,1,0,0|2,0,0]=4 487 B11R1.300 C=CCCNC(=O)C1(CC1)F WXVL_AK00138SB0218 [0,1,0,1,0,0|2,0,0]=4 488 B11R1.300 C=CCCNC(=O)C1(CC1)O WXVL_AK00138SB2965 [0,1,0,1,0,0|2,0,0]=4 489 B11R1.300 C=CCCNC(=O)C1(CC1)O WXVL_AK00138SB2965 [0,1,0,1,0,0|2,0,0]=4