0 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0773 [0,0,0,0,0,0|0,0,2]=2 1 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0773 [0,0,0,0,0,0|0,0,2]=2 2 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2294SB0073 [0,0,0,0,0,0|2,0,2]=4 3 B21R0.2907 CCCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2294SB0073 [0,0,0,0,0,0|2,0,2]=4 4 B20R0.39 CCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2735 [1,0,0,0,0,0|0,0,1]=2 5 B20R0.39 CCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2735 [1,0,0,0,0,0|0,0,1]=2 6 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK1866SB0073 [1,0,0,0,0,0|2,0,1]=4 7 B20R0.39 CCCCCCCCCCCCCCCNC(=O)CCC WXVL_AK1866SB0073 [1,0,0,0,0,0|2,0,1]=4 8 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0773 [1,0,0,0,0,0|0,0,2]=3 9 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0773 [1,0,0,0,0,0|0,0,2]=3 10 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CC WXVL_AK2294SB0064 [1,0,0,0,0,0|1,0,2]=4 11 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CC WXVL_AK2294SB0064 [1,0,0,0,0,0|1,0,2]=4 12 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0634 [0,1,0,0,0,0|0,0,2]=3 13 B22R0.54 CCCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0634 [0,1,0,0,0,0|0,0,2]=3 14 B22R0.37842 CCCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0773 [0,1,0,0,0,0|0,0,2]=3 15 B22R0.37842 CCCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0773 [0,1,0,0,0,0|0,0,2]=3 16 B22R0.38515 C=CCNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00561SB0773 [0,1,0,0,0,0|0,0,3]=4 17 B22R0.38515 C=CCNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00561SB0773 [0,1,0,0,0,0|0,0,3]=4 18 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0773 [0,1,0,0,0,0|0,0,3]=4 19 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB0773 [0,1,0,0,0,0|0,0,3]=4 20 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0773 [0,1,0,0,0,0|0,0,2]=3 21 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0773 [0,1,0,0,0,0|0,0,2]=3 22 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0773 [0,1,0,0,0,0|0,0,2]=3 23 B22R0.38515 CCCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0773 [0,1,0,0,0,0|0,0,2]=3 24 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK2294YV0092 [0,1,0,0,0,0|1,0,2]=4 25 B22R0.38515 CCCCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK2294YV0092 [0,1,0,0,0,0|1,0,2]=4 26 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [2,0,0,0,0,0|0,0,1]=3 27 B19R0.148 CCCCCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB2735 [2,0,0,0,0,0|0,0,1]=3 28 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [2,0,0,0,0,0|1,0,1]=4 29 B19R0.148 CCCCCCCCCCCCCCCNC(=O)CC WXVL_AK1866SB0064 [2,0,0,0,0,0|1,0,1]=4 30 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [2,0,0,0,0,0|0,0,0]=2 31 B19R0.182 CCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2751 [2,0,0,0,0,0|0,0,0]=2 32 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [2,0,0,0,0,0|2,0,0]=4 33 B19R0.182 CCCCCCCCCCCCCCNC(=O)CCC WXVL_AK2576SB0073 [2,0,0,0,0,0|2,0,0]=4 34 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [2,0,0,0,0,0|0,0,2]=4 35 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0773 [2,0,0,0,0,0|0,0,2]=4 36 B21R0.85 CCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2735 [1,1,0,0,0,0|0,0,1]=3 37 B21R0.85 CCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB2735 [1,1,0,0,0,0|0,0,1]=3 38 B21R0.9301 C=CCNC(=O)CCCCCCCCCCCCCCCC WXVL_AK00561SB2735 [1,1,0,0,0,0|0,0,2]=4 39 B21R0.9301 C=CCNC(=O)CCCCCCCCCCCCCCCC WXVL_AK00561SB2735 [1,1,0,0,0,0|0,0,2]=4 40 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2735 [1,1,0,0,0,0|0,0,2]=4 41 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCC#N WXVL_AK0683SB2735 [1,1,0,0,0,0|0,0,2]=4 42 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2735 [1,1,0,0,0,0|0,0,1]=3 43 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB2735 [1,1,0,0,0,0|0,0,1]=3 44 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2735 [1,1,0,0,0,0|0,0,1]=3 45 B21R0.9301 CCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB2735 [1,1,0,0,0,0|0,0,1]=3 46 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK1866YV0092 [1,1,0,0,0,0|1,0,1]=4 47 B21R0.9301 CCCCCCCCCCCCCCCNC(=O)NCCCl WXVL_AK1866YV0092 [1,1,0,0,0,0|1,0,1]=4 48 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0773 [1,1,0,0,0,0|0,0,2]=4 49 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0773 [1,1,0,0,0,0|0,0,2]=4 50 B23R0.46 CCCCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0634 [0,2,0,0,0,0|0,0,2]=4 51 B23R0.46 CCCCCCCCCCCCCCCCCCC(=O)NC(C)C WXVL_AK0030SB0634 [0,2,0,0,0,0|0,0,2]=4 52 B23R0.18861 CCCCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0634 [0,2,0,0,0,0|0,0,2]=4 53 B23R0.18861 CCCCCCCCCCCCCCCCCCC(=O)NCCC WXVL_AK00504SB0634 [0,2,0,0,0,0|0,0,2]=4 54 B23R0.18861 CCCCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0634 [0,2,0,0,0,0|0,0,2]=4 55 B23R0.18861 CCCCCCCCCCCCCCCCCCC(=O)NCCF WXVL_AK00466SB0634 [0,2,0,0,0,0|0,0,2]=4 56 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB1377 [0,2,0,0,0,0|0,0,2]=4 57 B23R0.36661 CCCCCCCCCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB1377 [0,2,0,0,0,0|0,0,2]=4 58 B23R0.37241 CCCCCCCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0773 [0,2,0,0,0,0|0,0,2]=4 59 B23R0.37241 CCCCCCCCCCCCCCCCCC(=O)N(C)CCO WXVL_AN2670SB0773 [0,2,0,0,0,0|0,0,2]=4 60 B23R0.36742 CCCCCCCCCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0773 [0,2,0,0,0,0|0,0,2]=4 61 B23R0.36742 CCCCCCCCCCCCCCCCCC(=O)N(C)C(C)C WXVL_AN0073SB0773 [0,2,0,0,0,0|0,0,2]=4 62 B23R0.37240 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00735SB0773 [0,2,0,0,0,0|0,0,2]=4 63 B23R0.37240 C#C[C@@H](C)NC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00735SB0773 [0,2,0,0,0,0|0,0,2]=4 64 B23R0.37240 C=CC(C)NC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00769SB0773 [0,2,0,0,0,0|0,0,2]=4 65 B23R0.37240 C=CC(C)NC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00769SB0773 [0,2,0,0,0,0|0,0,2]=4 66 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0773 [0,2,0,0,0,0|0,0,2]=4 67 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)NC(C)C#N WXVL_AK00810SB0773 [0,2,0,0,0,0|0,0,2]=4 68 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0773 [0,2,0,0,0,0|0,0,2]=4 69 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)CC WXVL_AK00678SB0773 [0,2,0,0,0,0|0,0,2]=4 70 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0773 [0,2,0,0,0,0|0,0,2]=4 71 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)CF WXVL_AK00558SB0773 [0,2,0,0,0,0|0,0,2]=4 72 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0773 [0,2,0,0,0,0|0,0,2]=4 73 B23R0.37240 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)CO WXVL_AK0109SB0773 [0,2,0,0,0,0|0,0,2]=4 74 B23R0.37252 CCCCCCCCCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0773 [0,2,0,0,0,0|0,0,2]=4 75 B23R0.37252 CCCCCCCCCCCCCCCCCC(=O)NC(C)(C)C WXVL_AK0024SB0773 [0,2,0,0,0,0|0,0,2]=4 76 B23R0.37243 CCCCCCCCCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0773 [0,2,0,0,0,0|0,0,2]=4 77 B23R0.37243 CCCCCCCCCCCCCCCCCC(=O)N(CC)CC WXVL_AN0042SB0773 [0,2,0,0,0,0|0,0,2]=4 78 B23R0.9276 C=C(C)CNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK0761SB0773 [0,2,0,0,0,0|0,0,2]=4 79 B23R0.9276 C=C(C)CNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK0761SB0773 [0,2,0,0,0,0|0,0,2]=4 80 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0773 [0,2,0,0,0,0|0,0,2]=4 81 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NCC(C)C WXVL_AK00544SB0773 [0,2,0,0,0,0|0,0,2]=4 82 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0773 [0,2,0,0,0,0|0,0,2]=4 83 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NCC(C)O WXVL_AK0052SB0773 [0,2,0,0,0,0|0,0,2]=4 84 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0773 [0,2,0,0,0,0|0,0,2]=4 85 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NCC(F)F WXVL_AK0136SB0773 [0,2,0,0,0,0|0,0,2]=4 86 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0773 [0,2,0,0,0,0|0,0,2]=4 87 B23R0.9276 CCCCCCCCCCCCCCCCCC(=O)NC[C@H](C)O WXVL_AK0113SB0773 [0,2,0,0,0,0|0,0,2]=4 88 B23R0.36743 C#CCCNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK3109SB0773 [0,2,0,0,0,0|0,0,2]=4 89 B23R0.36743 C#CCCNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK3109SB0773 [0,2,0,0,0,0|0,0,2]=4 90 B23R0.36743 C=CCCNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00138SB0773 [0,2,0,0,0,0|0,0,2]=4 91 B23R0.36743 C=CCCNC(=O)CCCCCCCCCCCCCCCCC WXVL_AK00138SB0773 [0,2,0,0,0,0|0,0,2]=4 92 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0773 [0,2,0,0,0,0|0,0,2]=4 93 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCC#N WXVL_AK0087SB0773 [0,2,0,0,0,0|0,0,2]=4 94 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0773 [0,2,0,0,0,0|0,0,2]=4 95 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCCC WXVL_AK00588SB0773 [0,2,0,0,0,0|0,0,2]=4 96 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0773 [0,2,0,0,0,0|0,0,2]=4 97 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCCO WXVL_AK0073SB0773 [0,2,0,0,0,0|0,0,2]=4 98 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0773 [0,2,0,0,0,0|0,0,2]=4 99 B23R0.36743 CCCCCCCCCCCCCCCCCC(=O)NCCSC WXVL_AK00440SB0773 [0,2,0,0,0,0|0,0,2]=4 100 B23R1.1892802 CCCCCCCCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0773 [0,1,0,1,0,0|0,0,2]=4 101 B23R1.1892802 CCCCCCCCCCCCCCCCCC(=O)NC1CC1 WXVL_AK0001SB0773 [0,1,0,1,0,0|0,0,2]=4 102 B23R1.1236912 CCCCCCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C WXVL_AK1818SB00048 [0,1,0,1,0,0|2,0,0]=4 103 B23R1.1236912 CCCCCCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C WXVL_AK1818SB00048 [0,1,0,1,0,0|2,0,0]=4