0 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|2,0,1]=4 1 B7R0.3 C=CCCC(=O)NC WXVL_AK00442SB1035 [0,1,0,0,0,0|2,0,1]=4 2 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|2,0,1]=4 3 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,1,0,0,0,0|1,0,1]=3 5 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.4 C#CCCNC(=O)C WXVL_AK3109SB0150 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [0,1,0,0,0,0|1,0,1]=3 10 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.4 C=CCCNC(=O)C WXVL_AK00138SB0150 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.4 CC(=O)NCCC#N WXVL_AK0087SB0150 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.4 CC/C=C/CC(=O)N WXVL_AK0084SB0349 [0,1,0,0,0,0|1,0,2]=4 18 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,1,0,0,0,0|0,0,2]=4 27 B6R0.4 C#CCCC(=O)N WXVL_AK0084SB2189 [1,1,0,0,0,0|0,0,2]=4 28 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,1,0,0,0,0|0,0,2]=4 29 B6R0.4 C=CCCC(=O)N WXVL_AK0084SB1035 [1,1,0,0,0,0|0,0,2]=4 30 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|0,1,0]=3 39 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [1,1,0,0,0,0|0,1,0]=3 40 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|0,0,0]=2 41 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|0,0,0]=2 42 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|1,0,1]=4 43 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.6 C#CC(=O)NCCCC WXVL_AK00588SB0338 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|1,0,0]=3 47 B8R0.6 C#CC(=O)NCCSC WXVL_AK00440SB0338 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.6 C#CCCCC(=O)NC WXVL_AK00442SB2709 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.6 C=CCCCC(=O)NC WXVL_AK00442SB2920 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|1,0,0]=3 53 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|1,0,0]=3 54 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,0]=3 64 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.7 C#CCCCNC(=O)C WXVL_AK00218SB0150 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.7 C#CCOCCC(=O)N WXVL_AK0084SBD927 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|1,0,0]=3 71 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [0,2,0,0,0,0|1,0,0]=3 74 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|0,1,0]=3 75 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|0,1,0]=3 76 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,2,0,0,0,0|0,1,0]=3 77 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [0,2,0,0,0,0|0,1,0]=3 78 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,2,0,0,0,0|0,0,0]=2 79 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,2,0,0,0,0|0,0,0]=2 80 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,0]=3 86 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,2,0,0,0,0|1,1,0]=4 87 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,2,0,0,0,0|1,1,0]=4 88 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,1]=4 89 B8R0.9 CNC(=O)CCC(=O)C WXVL_AK00442SB0072 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|1,0,1]=4 91 B8R0.9 CNC(=O)CCC(=O)N WXVL_AK00442SB0358 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|0,1,1]=4 93 B8R0.9 COC(=O)CCC(=O)N WXVL_AK0084SB0069 [0,2,0,0,0,0|0,1,1]=4 94 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,2,0,0,0,0|1,1,0]=4 95 B8R0.9 CO[C@H](C)CNC(=O)C WXVL_AK00704SB0150 [0,2,0,0,0,0|1,1,0]=4 96 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,2,0,0,0,0|1,1,0]=4 99 B8R0.5 COC[C@@H](C)NC(=O)C WXVL_AK00613SB0150 [0,2,0,0,0,0|1,1,0]=4 100 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,2,0,0,0,0|1,1,0]=4 101 B8R0.5 COC[C@H](C)NC(=O)C WXVL_AK0137SB0150 [0,2,0,0,0,0|1,1,0]=4 102 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.28 CC(=CCCC(=O)N)C WXVL_AK0084SB00030 [0,2,0,0,0,0|1,0,1]=4 104 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK00443SB0150 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK00443SB0150 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK0084SB0374 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.28 CC(=O)NCCC(=O)N WXVL_AK0084SB0374 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.28 CC(=O)NCCC(C)C WXVL_AK0068SB0150 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.28 CC(=O)NCCN(C)C WXVL_AK0058SB0150 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.7 CC(=O)N1CCCC1 WXVL_AN0008SB0150 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.34 CC(=O)NC1CNC1 WXVL_AK1291SB0150 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|1,0,0]=3