0 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,0,0,0,0,0|1,0,0]=1 1 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,0,0,0,0,0|2,0,0]=2 3 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,0,0,0,0,0|2,0,0]=2 4 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [1,0,0,0,0,0|1,0,2]=4 5 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [1,0,0,0,0,0|1,0,2]=4 6 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,0,0,0,0,0|3,0,0]=4 7 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [1,0,0,0,0,0|3,0,0]=4 8 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,0,0,0,0,0|1,0,0]=2 9 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [1,0,0,0,0,0|1,0,0]=2 10 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,0,0,0,0,0|2,0,0]=3 11 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [1,0,0,0,0,0|2,0,0]=3 12 B14R0.2 CCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0393 [0,1,0,0,0,0|2,0,1]=4 13 B14R0.2 CCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0393 [0,1,0,0,0,0|2,0,1]=4 14 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [0,1,0,0,0,0|2,0,0]=3 15 B14R0.337 C#CC(=O)NCCCCCCCCCC WXVL_AK1845SB0338 [0,1,0,0,0,0|2,0,0]=3 16 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,1,0,0,0,0|1,0,0]=2 17 B14R0.337 CCCCCCCCCCCC(=O)NC WXVL_AK00442SB2796 [0,1,0,0,0,0|1,0,0]=2 18 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,1,0,0,0,0|2,0,0]=3 19 B14R0.337 CCCCCCCCCCNC(=O)CC WXVL_AK1845SB0064 [0,1,0,0,0,0|2,0,0]=3 20 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,1,0,0,0,0|1,0,0]=2 21 B14R0.337 CCCCCCCCCCNC(=O)CO WXVL_AK1845SB2706 [0,1,0,0,0,0|1,0,0]=2 22 B14R0.340 CCCCCCCCCNC(=O)C(=O)C WXVL_AK1826SB0051 [0,1,0,0,0,0|2,0,1]=4 23 B14R0.340 CCCCCCCCCNC(=O)C(=O)C WXVL_AK1826SB0051 [0,1,0,0,0,0|2,0,1]=4 24 B14R0.340 CCCCCCCCCNC(=O)C(=O)N WXVL_AK1826SB0128 [0,1,0,0,0,0|2,0,1]=4 25 B14R0.340 CCCCCCCCCNC(=O)C(=O)N WXVL_AK1826SB0128 [0,1,0,0,0,0|2,0,1]=4 26 B14R0.344 CCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0409 [0,1,0,0,0,0|2,0,1]=4 27 B14R0.344 CCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0409 [0,1,0,0,0,0|2,0,1]=4 28 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,1,0,0,0,0|2,0,0]=3 29 B14R0.394 CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0150 [0,1,0,0,0,0|2,0,0]=3 30 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,1,0,0,0,0|1,0,0]=2 31 B14R0.394 CCCCCCCCCCCCC(=O)N WXVL_AK0084SB0547 [0,1,0,0,0,0|1,0,0]=2 32 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,1,0,0,0,0|1,0,0]=2 33 B14R0.394 NC(=O)CCCCCCCCCCCBr WXVL_AK0084SB0603 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.159 CC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0150 [0,0,0,1,0,0|3,0,0]=4 35 B14R1.159 CC(=O)NCCCN1CCCCC1C WXVL_AK1585SB0150 [0,0,0,1,0,0|3,0,0]=4 36 B14R1.427 CC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0150 [0,0,0,1,0,0|3,0,0]=4 37 B14R1.427 CC(=O)NCCCCCN1CCCC1 WXVL_AK00797SB0150 [0,0,0,1,0,0|3,0,0]=4 38 B14R1.1454 CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0150 [0,0,0,1,0,0|2,0,0]=3 39 B14R1.1454 CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0150 [0,0,0,1,0,0|2,0,0]=3 40 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [2,0,0,0,0,0|1,0,0]=3 41 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [2,0,0,0,0,0|1,0,0]=3 42 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [2,0,0,0,0,0|2,0,0]=4 43 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [2,0,0,0,0,0|2,0,0]=4 44 B13R0.280 CCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0549 [1,1,0,0,0,0|1,0,1]=4 45 B13R0.280 CCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0549 [1,1,0,0,0,0|1,0,1]=4 46 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0409 [0,2,0,0,0,0|1,0,1]=4 47 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N WXVL_AK00443SB0409 [0,2,0,0,0,0|1,0,1]=4 48 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0325 [0,2,0,0,0,0|1,0,1]=4 49 B15R0.252 CCCCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0325 [0,2,0,0,0,0|1,0,1]=4 50 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC WXVL_AK00504SB3124 [0,2,0,0,0,0|1,0,1]=4 51 B15R0.209 CCCNC(=O)CCCCCCC(=O)OC WXVL_AK00504SB3124 [0,2,0,0,0,0|1,0,1]=4 52 B15R0.81 C#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0338 [0,2,0,0,0,0|2,0,0]=4 53 B15R0.81 C#CC(=O)NCCCCCCCCCCO WXVL_AK3148SB0338 [0,2,0,0,0,0|2,0,0]=4 54 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [0,2,0,0,0,0|2,0,0]=4 55 B15R0.81 CCC(=O)NCCCCCCCCCCO WXVL_AK3148SB0064 [0,2,0,0,0,0|2,0,0]=4 56 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [0,2,0,0,0,0|1,0,0]=3 57 B15R0.81 CCCCCCCCCCCCC(=O)NC WXVL_AK00442SB0547 [0,2,0,0,0,0|1,0,0]=3 58 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [0,2,0,0,0,0|1,0,0]=3 59 B15R0.81 CNC(=O)CCCCCCCCCCCBr WXVL_AK00442SB0603 [0,2,0,0,0,0|1,0,0]=3 60 B15R0.81 O=C(CO)NCCCCCCCCCCO WXVL_AK3148SB2706 [0,2,0,0,0,0|1,0,0]=3 61 B15R0.81 O=C(CO)NCCCCCCCCCCO WXVL_AK3148SB2706 [0,2,0,0,0,0|1,0,0]=3 62 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC WXVL_AK1845SB1376 [0,2,0,0,0,0|2,0,0]=4 63 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC WXVL_AK1845SB1376 [0,2,0,0,0,0|2,0,0]=4 64 B15R0.84 CCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2796 [0,2,0,0,0,0|1,0,0]=3 65 B15R0.84 CCCCCCCCCCCC(=O)N(C)C WXVL_AN0032SB2796 [0,2,0,0,0,0|1,0,0]=3 66 B15R0.84 CCCCCCCCCCNC(=O)C(=O)C WXVL_AK1845SB0051 [0,2,0,0,0,0|1,0,1]=4 67 B15R0.84 CCCCCCCCCCNC(=O)C(=O)C WXVL_AK1845SB0051 [0,2,0,0,0,0|1,0,1]=4 68 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N WXVL_AK1845SB0128 [0,2,0,0,0,0|1,0,1]=4 69 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N WXVL_AK1845SB0128 [0,2,0,0,0,0|1,0,1]=4 70 B15R0.84 CCCCCCCCCCNC(=O)C(C)C WXVL_AK1845SB0052 [0,2,0,0,0,0|2,0,0]=4 71 B15R0.84 CCCCCCCCCCNC(=O)C(C)C WXVL_AK1845SB0052 [0,2,0,0,0,0|2,0,0]=4 72 B15R0.84 CCCCCCCCCCNC(=O)C(C)S WXVL_AK1845SB2708 [0,2,0,0,0,0|1,1,0]=4 73 B15R0.84 CCCCCCCCCCNC(=O)C(C)S WXVL_AK1845SB2708 [0,2,0,0,0,0|1,1,0]=4 74 B15R0.84 CCCCCCCCCCNC(=O)C(F)F WXVL_AK1845SB0079 [0,2,0,0,0,0|2,0,0]=4 75 B15R0.84 CCCCCCCCCCNC(=O)C(F)F WXVL_AK1845SB0079 [0,2,0,0,0,0|2,0,0]=4 76 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1845SB1085 [0,2,0,0,0,0|1,0,0]=3 77 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O WXVL_AK1845SB1085 [0,2,0,0,0,0|1,0,0]=3 78 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC WXVL_AK0076SB1209 [0,2,0,0,0,0|1,0,1]=4 79 B15R0.189 CCCCCNC(=O)CCCCC(=O)OC WXVL_AK0076SB1209 [0,2,0,0,0,0|1,0,1]=4 80 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,2,0,0,0,0|2,0,0]=4 81 B15R0.366 C#CCC(=O)NCCCCCCCCCC WXVL_AK1845SB3070 [0,2,0,0,0,0|2,0,0]=4 82 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,2,0,0,0,0|2,0,0]=4 83 B15R0.366 C/C=C/C(=O)NCCCCCCCCCC WXVL_AK1845SB0340 [0,2,0,0,0,0|2,0,0]=4 84 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,2,0,0,0,0|2,0,0]=4 85 B15R0.366 C=CCC(=O)NCCCCCCCCCC WXVL_AK1845SB2732 [0,2,0,0,0,0|2,0,0]=4 86 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,2,0,0,0,0|2,0,0]=4 87 B15R0.366 CC#CC(=O)NCCCCCCCCCC WXVL_AK1845SB1240 [0,2,0,0,0,0|2,0,0]=4 88 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,2,0,0,0,0|1,0,0]=3 89 B15R0.366 CCCCCCCCCCCC(=O)NCC WXVL_AK00476SB2796 [0,2,0,0,0,0|1,0,0]=3 90 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,2,0,0,0,0|2,0,0]=4 91 B15R0.366 CCCCCCCCCCNC(=O)CC#N WXVL_AK1845SB0057 [0,2,0,0,0,0|2,0,0]=4 92 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,2,0,0,0,0|2,0,0]=4 93 B15R0.366 CCCCCCCCCCNC(=O)CCC WXVL_AK1845SB0073 [0,2,0,0,0,0|2,0,0]=4 94 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,2,0,0,0,0|1,0,0]=3 95 B15R0.366 CCCCCCCCCCNC(=O)COC WXVL_AK1845SB0090 [0,2,0,0,0,0|1,0,0]=3 96 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,2,0,0,0,0|1,1,0]=4 97 B15R0.366 CCCCCCCCCCNC(=O)CSC WXVL_AK1845SB1267 [0,2,0,0,0,0|1,1,0]=4 98 B15R0.384 CCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0073 [0,2,0,0,0,0|1,0,1]=4 99 B15R0.384 CCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0073 [0,2,0,0,0,0|1,0,1]=4 100 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC WXVL_AK1818SB2790 [0,2,0,0,0,0|1,0,1]=4 101 B15R0.3221 CCCCCCCCNC(=O)CC(=O)OC WXVL_AK1818SB2790 [0,2,0,0,0,0|1,0,1]=4 102 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0447 [0,2,0,0,0,0|1,0,1]=4 103 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N WXVL_AK0147SB0447 [0,2,0,0,0,0|1,0,1]=4 104 B15R0.88 CCCCCCCCNC(=O)CCC(=O)C WXVL_AK1818SB0072 [0,2,0,0,0,0|1,0,1]=4 105 B15R0.88 CCCCCCCCNC(=O)CCC(=O)C WXVL_AK1818SB0072 [0,2,0,0,0,0|1,0,1]=4 106 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N WXVL_AK1818SB0358 [0,2,0,0,0,0|1,0,1]=4 107 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N WXVL_AK1818SB0358 [0,2,0,0,0,0|1,0,1]=4 108 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,2,0,0,0,0|1,0,0]=3 109 B15R0.164 CCCCCCCCCCCCCC(=O)N WXVL_AK0084SB0562 [0,2,0,0,0,0|1,0,0]=3 110 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,2,0,0,0,0|1,0,0]=3 111 B15R0.164 CCCCCCCCCCCCNC(=O)C WXVL_AK1886SB0150 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [1,0,0,1,0,0|2,0,0]=4 113 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [1,0,0,1,0,0|2,0,0]=4 114 B15R1.975 O=C(CO)NCCCCCN1CCCC1 WXVL_AK00797SB2706 [0,1,0,1,0,0|2,0,0]=4 115 B15R1.975 O=C(CO)NCCCCCN1CCCC1 WXVL_AK00797SB2706 [0,1,0,1,0,0|2,0,0]=4 116 B15R1.1091 CC1CCCCN1CCCNC(=O)CO WXVL_AK1585SB2706 [0,1,0,1,0,0|2,0,0]=4 117 B15R1.1091 CC1CCCCN1CCCNC(=O)CO WXVL_AK1585SB2706 [0,1,0,1,0,0|2,0,0]=4 118 B15R1.12436 C#CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0338 [0,1,0,1,0,0|2,0,0]=4 119 B15R1.12436 C#CC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0338 [0,1,0,1,0,0|2,0,0]=4 120 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0064 [0,1,0,1,0,0|2,0,0]=4 121 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 WXVL_AK2380SB0064 [0,1,0,1,0,0|2,0,0]=4 122 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 WXVL_AK2380SB2706 [0,1,0,1,0,0|1,0,0]=3 123 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 WXVL_AK2380SB2706 [0,1,0,1,0,0|1,0,0]=3