0 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,1]=4 1 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,1]=4 2 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,1]=4 3 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,1]=3 5 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|1,0,1]=3 10 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.7 CCCC(=O)NCC WXVL_AK00476SB0073 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|1,0,1]=4 19 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|1,0,1]=4 20 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 22 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,1]=4 24 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 25 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|1,0,1]=4 27 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|1,0,1]=4 28 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|1,0,1]=4 29 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.1 CCNC(=O)CCOC WXVL_AK00476SB0156 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|0,0,1]=3 35 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|0,0,1]=3 36 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,1]=4 37 B8R0.6 CCCCNC(=O)CC WXVL_AK00588SB0064 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|0,0,1]=3 39 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|0,0,1]=3 40 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|1,0,1]=4 41 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|1,0,1]=4 43 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,1]=4 45 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|0,0,1]=3 49 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|0,0,1]=3 50 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|0,0,2]=4 52 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|0,0,2]=4 55 B8R0.7 NC(=O)CCCCCBr WXVL_AK0084SB2192 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|0,0,1]=3 57 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|0,0,1]=3 58 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|0,0,2]=4 61 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|0,0,2]=4 62 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,1]=4 63 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,1]=4 64 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,1]=4 82 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.5 CCNC(=O)CC(C)O WXVL_AK00476SB3643 [0,2,0,0,0,0|1,0,1]=4 86 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|0,0,2]=4 87 B8R0.28 CC(C)CCCC(=O)N WXVL_AK0084SB1301 [0,2,0,0,0,0|0,0,2]=4 88 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|0,0,2]=4 91 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|0,0,2]=4 92 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|0,0,2]=4 97 B8R1.34 NC(=O)CC1CCC1 WXVL_AK0084SB2207 [0,1,0,1,0,0|0,0,2]=4 98 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.35 NC(=O)CCC1CC1 WXVL_AK0084SB5360 [0,1,0,1,0,0|0,0,2]=4