0 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,0,0,0,0,0|3,1,0]=4 3 B8R0.8 COCCN(C)C(=O)C WXVL_AN0085SB0150 [0,0,0,0,0,0|3,1,0]=4 4 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 C#CCCCC(=O)N WXVL_AK0084SB2709 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 C=CCCCC(=O)N WXVL_AK0084SB2920 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.8 CCCCC(O)C(=O)NC WXVL_AK00442SB3429 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,1,0,0,0,0|2,1,0]=4 23 B9R0.8 COCCN(C)C(=O)CO WXVL_AN0085SB2706 [0,1,0,0,0,0|2,1,0]=4 24 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.47 CCCCCC(C)C(=O)N WXVL_AK0084SB0394 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.47 CSCCNC(=O)C(=O)C WXVL_AK00440SB0051 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.47 CSCCNC(=O)C(=O)N WXVL_AK00440SB0128 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.6 CC(=O)N1CCSCC1 WXVL_AN0896SB0150 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 NC(=O)C1CCCCO1 WXVL_AK0084SB0206 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,0,0,1,0,0|2,1,0]=4 36 B9R1.6 NC(=O)C1CCOCC1 WXVL_AK0084SB0149 [0,0,0,1,0,0|2,1,0]=4 37 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.6 NC(=O)C1CCSCC1 WXVL_AK0084SB0752 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.6 NC(=O)[C@H]1CCCCO1 WXVL_AK0084SB00044 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 CN1CCC(C1)C(=O)N WXVL_AK0084SB1540 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.35 CN1CCC(C1)C(=O)N WXVL_AK0084SB1540 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)N WXVL_AK0084SB0853 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)N WXVL_AK0084SB0853 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0084SB0126 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.163 CC1(CCCC1)C(=O)N WXVL_AK0084SB0209 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.163 CC1(CCCC1)C(=O)N WXVL_AK0084SB0209 [0,0,0,1,0,0|3,0,0]=4 49 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 CCOCC(=O)N WXVL_AK0084SB0091 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CCSCC(=O)N WXVL_AK0084SB0002 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|0,1,1]=4 56 B6R0.4 COCCC(=O)N WXVL_AK0084SB0156 [2,0,0,0,0,0|0,1,1]=4 57 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [2,0,0,0,0,0|0,0,1]=3 59 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.3 CCC(C)C(=O)N WXVL_AK0084SB0054 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.3 CC[C@@H](C)C(=O)N WXVL_AK0084SB00054 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.3 CC[C@H](O)C(=O)N WXVL_AK0084SB3573 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.7 CCSCCNC(=O)C WXVL_AK00494SB0150 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [1,1,0,0,0,0|1,1,0]=4 70 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [1,1,0,0,0,0|1,1,0]=4 71 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [1,1,0,0,0,0|1,1,0]=4 72 B8R0.7 COCCOCC(=O)N WXVL_AK0084SB0159 [1,1,0,0,0,0|1,1,0]=4 73 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [1,1,0,0,0,0|2,0,0]=4 77 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [1,1,0,0,0,0|2,0,0]=4 78 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [1,1,0,0,0,0|2,0,0]=4 79 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [1,1,0,0,0,0|2,0,0]=4 80 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.28 CN(C)CCCC(=O)N WXVL_AK0084SB00055 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.12 CSCC(C)(C)C(=O)N WXVL_AK0084SBF473 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.12 CSCC(C)(C)C(=O)N WXVL_AK0084SBF473 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [1,1,0,0,0,0|2,0,0]=4 89 B10R0.87 CSCC[C@@H](CO)NC(=O)C WXVL_AK1021SB0150 [0,1,0,0,0,1|2,0,0]=4 90 B10R0.87 CSCC[C@@H](CO)NC(=O)C WXVL_AK1021SB0150 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.34 CC(=O)NC1CSC1 WXVL_AK2089SB0150 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.15 CNC(=O)C1CCSCC1 WXVL_AK00442SB0752 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.15 O=C(CO)N1CCSCC1 WXVL_AN0896SB2706 [0,1,0,1,0,0|2,0,0]=4