0 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,0,0,0,0,0|3,0,0]=3 1 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,0,0,0,0,0|3,0,0]=3 2 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,0,0,0,0,0|1,0,0]=1 3 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,0,0,0,0,0|1,0,0]=1 4 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,0,0,0,0,0|2,0,0]=2 5 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,0,0,0,0,0|2,0,0]=2 6 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [1,0,0,0,0,0|1,0,0]=2 7 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [1,0,0,0,0,0|1,0,0]=2 8 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [1,0,0,0,0,0|2,0,0]=3 9 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [1,0,0,0,0,0|2,0,0]=3 10 B15R0.81 C#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0338 [0,1,0,0,0,0|3,0,0]=4 11 B15R0.81 C#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0338 [0,1,0,0,0,0|3,0,0]=4 12 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [0,1,0,0,0,0|3,0,0]=4 13 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [0,1,0,0,0,0|3,0,0]=4 14 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [0,1,0,0,0,0|1,0,0]=2 15 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [0,1,0,0,0,0|1,0,0]=2 16 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [0,1,0,0,0,0|2,0,0]=3 17 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [0,1,0,0,0,0|2,0,0]=3 18 B15R0.81 O=C(CO)NCCCCCCCCCCO WXVL_AK3148SB2706 [0,1,0,0,0,0|2,0,0]=3 19 B15R0.81 O=C(CO)NCCCCCCCCCCO WXVL_AK3148SB2706 [0,1,0,0,0,0|2,0,0]=3 20 B15R0.84 CCCCCCCCCCNC(=O)C(=O)C WXVL_AK1845SB0051 [0,1,0,0,0,0|2,0,1]=4 21 B15R0.84 CCCCCCCCCCNC(=O)C(=O)C WXVL_AK1845SB0051 [0,1,0,0,0,0|2,0,1]=4 22 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N WXVL_AK1845SB0128 [0,1,0,0,0,0|2,0,1]=4 23 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N WXVL_AK1845SB0128 [0,1,0,0,0,0|2,0,1]=4 24 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0447 [0,1,0,0,0,0|2,0,1]=4 25 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0447 [0,1,0,0,0,0|2,0,1]=4 26 B15R0.88 CCCCCCCCNC(=O)CCC(=O)C WXVL_AK1818SB0072 [0,1,0,0,0,0|2,0,1]=4 27 B15R0.88 CCCCCCCCNC(=O)CCC(=O)C WXVL_AK1818SB0072 [0,1,0,0,0,0|2,0,1]=4 28 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N WXVL_AK1818SB0358 [0,1,0,0,0,0|2,0,1]=4 29 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N WXVL_AK1818SB0358 [0,1,0,0,0,0|2,0,1]=4 30 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,1,0,0,0,0|1,0,0]=2 31 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,1,0,0,0,0|1,0,0]=2 32 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,1,0,0,0,0|1,0,0]=2 33 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,1,0,0,0,0|1,0,0]=2 34 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0325 [0,1,0,0,0,0|1,0,1]=3 35 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0325 [0,1,0,0,0,0|1,0,1]=3 36 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0409 [0,1,0,0,0,0|2,0,1]=4 37 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0409 [0,1,0,0,0,0|2,0,1]=4 38 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [2,0,0,0,0,0|1,0,0]=3 39 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [2,0,0,0,0,0|1,0,0]=3 40 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [2,0,0,0,0,0|2,0,0]=4 41 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [2,0,0,0,0,0|2,0,0]=4 42 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [1,1,0,0,0,0|2,0,0]=4 43 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [1,1,0,0,0,0|2,0,0]=4 44 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,1,0,0,0,0|1,0,0]=3 45 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [1,1,0,0,0,0|1,0,0]=3 46 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,1,0,0,0,0|2,0,0]=4 47 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [1,1,0,0,0,0|2,0,0]=4 48 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,1,0,0,0,0|1,0,0]=3 49 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [1,1,0,0,0,0|1,0,0]=3 50 B16R0.1182 CCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1826SB2790 [0,2,0,0,0,0|1,0,1]=4 51 B16R0.1182 CCCCCCCCCNC(=O)CC(=O)OC WXVL_AK1826SB2790 [0,2,0,0,0,0|1,0,1]=4 52 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,2,0,0,0,0|1,0,0]=3 53 B16R0.61 CCCCCCCCCCCCC(=O)NCC WXVL_AK00476SB0547 [0,2,0,0,0,0|1,0,0]=3 54 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,2,0,0,0,0|2,0,0]=4 55 B16R0.61 CCNC(=O)CCCCCCCCCCCBr WXVL_AK00476SB0603 [0,2,0,0,0,0|2,0,0]=4 56 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,2,0,0,0,0|2,0,0]=4 57 B16R0.61 COCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0090 [0,2,0,0,0,0|2,0,0]=4 58 B16R0.108 CCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0393 [0,2,0,0,0,0|1,0,1]=4 59 B16R0.108 CCCCCCCC(=O)NCCCC(=O)OC WXVL_AK00444SB0393 [0,2,0,0,0,0|1,0,1]=4 60 B16R0.108 CCCCCCNC(=O)CCCCC(=O)OC WXVL_AK0286SB1209 [0,2,0,0,0,0|1,0,1]=4 61 B16R0.108 CCCCCCNC(=O)CCCCC(=O)OC WXVL_AK0286SB1209 [0,2,0,0,0,0|1,0,1]=4 62 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,2,0,0,0,0|1,0,0]=3 63 B16R0.221 C#CC(=O)NCCCCCCCCCCCC WXVL_AK1886SB0338 [0,2,0,0,0,0|1,0,0]=3 64 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,2,0,0,0,0|1,0,0]=3 65 B16R0.221 CCCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0562 [0,2,0,0,0,0|1,0,0]=3 66 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,2,0,0,0,0|1,0,0]=3 67 B16R0.221 CCCCCCCCCCCCNC(=O)CC WXVL_AK1886SB0064 [0,2,0,0,0,0|1,0,0]=3 68 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,2,0,0,0,0|0,0,0]=2 69 B16R0.221 CCCCCCCCCCCCNC(=O)CO WXVL_AK1886SB2706 [0,2,0,0,0,0|0,0,0]=2 70 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,2,0,0,0,0|1,0,0]=3 71 B16R0.221 CCCCCCCCCCCCNC(=O)NC WXVL_AK00442YV0205 [0,2,0,0,0,0|1,0,0]=3 72 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0547 [0,2,0,0,0,0|1,0,0]=3 73 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB0547 [0,2,0,0,0,0|1,0,0]=3 74 B16R0.224 CN(C)C(=O)CCCCCCCCCCCBr WXVL_AN0032SB0603 [0,2,0,0,0,0|2,0,0]=4 75 B16R0.224 CN(C)C(=O)CCCCCCCCCCCBr WXVL_AN0032SB0603 [0,2,0,0,0,0|2,0,0]=4 76 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB1085 [0,2,0,0,0,0|2,0,0]=4 77 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO WXVL_AK3148SB1085 [0,2,0,0,0,0|2,0,0]=4 78 B16R0.3257 CCCCNC(=O)CCCCCCC(=O)OC WXVL_AK00588SB3124 [0,2,0,0,0,0|1,0,1]=4 79 B16R0.3257 CCCCNC(=O)CCCCCCC(=O)OC WXVL_AK00588SB3124 [0,2,0,0,0,0|1,0,1]=4 80 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0325 [0,2,0,0,0,0|1,0,1]=4 81 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)NC WXVL_AK00442HU0325 [0,2,0,0,0,0|1,0,1]=4 82 B16R0.6606 CCCCCCCCNC(=O)CCC(=O)OC WXVL_AK1818SB0069 [0,2,0,0,0,0|1,0,1]=4 83 B16R0.6606 CCCCCCCCNC(=O)CCC(=O)OC WXVL_AK1818SB0069 [0,2,0,0,0,0|1,0,1]=4 84 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0490 [0,2,0,0,0,0|1,0,1]=4 85 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0490 [0,2,0,0,0,0|1,0,1]=4 86 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1826SB0072 [0,2,0,0,0,0|1,0,1]=4 87 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)C WXVL_AK1826SB0072 [0,2,0,0,0,0|1,0,1]=4 88 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1826SB0358 [0,2,0,0,0,0|1,0,1]=4 89 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N WXVL_AK1826SB0358 [0,2,0,0,0,0|1,0,1]=4 90 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,2,0,0,0,0|1,0,0]=3 91 B16R0.274 CC(=O)NCCCCCCCCCCCCO WXVL_AK3055SB0150 [0,2,0,0,0,0|1,0,0]=3 92 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,2,0,0,0,0|1,0,0]=3 93 B16R0.274 CCCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0577 [0,2,0,0,0,0|1,0,0]=3 94 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,2,0,0,0,0|1,0,0]=3 95 B16R0.274 CCCCCCCCCCCCCNC(=O)C WXVL_AK4135SB0150 [0,2,0,0,0,0|1,0,0]=3 96 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0447 [0,2,0,0,0,0|1,0,1]=4 97 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0447 [0,2,0,0,0,0|1,0,1]=4 98 B14R1.1454 CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0150 [1,0,0,1,0,0|2,0,0]=4 99 B14R1.1454 CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0150 [1,0,0,1,0,0|2,0,0]=4