0 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0076SB0126 [0,1,0,0,0,0|2,0,1]=4 1 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0076SB0126 [0,1,0,0,0,0|2,0,1]=4 2 B14R1.37 CCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0076SBF634 [0,1,0,0,0,0|2,0,1]=4 3 B14R1.37 CCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0076SBF634 [0,1,0,0,0,0|2,0,1]=4 4 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,0,1,0,0,0|3,0,0]=4 5 B12R0.4 CCCCCCCC(O)CC(=O)N WXVL_AK0084SB4065 [0,0,1,0,0,0|3,0,0]=4 6 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,0,1,0,0,0|1,0,2]=4 7 B12R0.234 C=CCCCCCCCCC(=O)N WXVL_AK0084SB0481 [0,0,1,0,0,0|1,0,2]=4 8 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,0,1,0,0,0|3,0,0]=4 9 B12R0.234 CC(=O)NCCCCCCCCO WXVL_AK4142SB0150 [0,0,1,0,0,0|3,0,0]=4 10 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,0,1,0,0,0|1,0,0]=2 11 B12R0.234 CCCCCCCCCCC(=O)N WXVL_AK0084SB0490 [0,0,1,0,0,0|1,0,0]=2 12 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,0,1,0,0,0|2,0,0]=3 13 B12R0.234 CCCCCCCCCNC(=O)C WXVL_AK1826SB0150 [0,0,1,0,0,0|2,0,0]=3 14 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,0,1,0,0,0|1,0,2]=4 15 B12R0.248 C#CC(=O)NCCCCCCCC WXVL_AK1818SB0338 [0,0,1,0,0,0|1,0,2]=4 16 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,0,1,0,0,0|2,0,0]=3 17 B12R0.248 CCCCCCCCCC(=O)NC WXVL_AK00442SB0447 [0,0,1,0,0,0|2,0,0]=3 18 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,0,1,0,0,0|1,0,0]=2 19 B12R0.248 CCCCCCCCNC(=O)CC WXVL_AK1818SB0064 [0,0,1,0,0,0|1,0,0]=2 20 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,0,1,0,0,0|2,0,0]=3 21 B12R0.248 CCCCCCCCNC(=O)CO WXVL_AK1818SB2706 [0,0,1,0,0,0|2,0,0]=3 22 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,0,1,0,0,0|2,0,0]=3 23 B12R0.248 CCCCCCCCNC(=O)NC WXVL_AK00442YV0182 [0,0,1,0,0,0|2,0,0]=3 24 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,0,1,0,0,0|2,0,0]=3 25 B12R0.248 CCCCOCCCNC(=O)CC WXVL_AK2310SB0064 [0,0,1,0,0,0|2,0,0]=3 26 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,0,1,0,0,0|3,0,0]=4 27 B12R0.248 CCCCOCCCNC(=O)CO WXVL_AK2310SB2706 [0,0,1,0,0,0|3,0,0]=4 28 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [1,0,1,0,0,0|1,0,0]=3 29 B11R0.148 CCCCCCCCCC(=O)N WXVL_AK0084SB0447 [1,0,1,0,0,0|1,0,0]=3 30 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,0,1,0,0,0|1,0,0]=3 31 B11R0.148 CCCCCCCCNC(=O)C WXVL_AK1818SB0150 [1,0,1,0,0,0|1,0,0]=3 32 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,0,1,0,0,0|2,0,0]=4 33 B11R0.148 CCCCOCCCNC(=O)C WXVL_AK2310SB0150 [1,0,1,0,0,0|2,0,0]=4 34 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,0,1,0,0,0|2,0,0]=4 35 B11R0.40 CCC(=O)NCCCCCCO WXVL_AK0751SB0064 [1,0,1,0,0,0|2,0,0]=4 36 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,0,1,0,0,0|1,0,0]=3 37 B11R0.40 CCCCCCCCC(=O)NC WXVL_AK00442SB0409 [1,0,1,0,0,0|1,0,0]=3 38 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,0,1,0,0,0|2,0,0]=4 39 B11R0.40 CCCCOCCNC(=O)CC WXVL_AK9674SB0064 [1,0,1,0,0,0|2,0,0]=4 40 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [1,0,1,0,0,0|2,0,0]=4 41 B11R0.40 CNC(=O)CCCCCCCBr WXVL_AK00442SB0559 [1,0,1,0,0,0|2,0,0]=4 42 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [1,0,1,0,0,0|2,0,0]=4 43 B11R0.40 CNC(=O)CCCCCCCO WXVL_AK00442SB1306 [1,0,1,0,0,0|2,0,0]=4 44 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [0,1,1,0,0,0|2,0,0]=4 45 B13R0.274 CCCCCCCC(O)CC(=O)NC WXVL_AK00442SB4065 [0,1,1,0,0,0|2,0,0]=4 46 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,1,1,0,0,0|1,0,0]=3 47 B13R0.54 CCCCCCCCCCCC(=O)N WXVL_AK0084SB2796 [0,1,1,0,0,0|1,0,0]=3 48 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,1,1,0,0,0|1,0,0]=3 49 B13R0.54 CCCCCCCCCCNC(=O)C WXVL_AK1845SB0150 [0,1,1,0,0,0|1,0,0]=3 50 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,1,1,0,0,0|2,0,0]=4 51 B13R0.147 C#CC(=O)NCCCCCCCCC WXVL_AK1826SB0338 [0,1,1,0,0,0|2,0,0]=4 52 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,1,1,0,0,0|1,0,0]=3 53 B13R0.147 CCCCCCCCCCC(=O)NC WXVL_AK00442SB0490 [0,1,1,0,0,0|1,0,0]=3 54 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,1,1,0,0,0|2,0,0]=4 55 B13R0.147 CCCCCCCCCNC(=O)CC WXVL_AK1826SB0064 [0,1,1,0,0,0|2,0,0]=4 56 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,1,1,0,0,0|1,0,0]=3 57 B13R0.147 CCCCCCCCCNC(=O)CO WXVL_AK1826SB2706 [0,1,1,0,0,0|1,0,0]=3 58 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,1,1,0,0,0|2,0,0]=4 59 B13R0.147 O=C(CO)NCCCCCCCCO WXVL_AK4142SB2706 [0,1,1,0,0,0|2,0,0]=4 60 B13R0.280 CCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0549 [0,1,1,0,0,0|1,0,1]=4 61 B13R0.280 CCCCCCCCCCS(=O)(=O)N WXVL_AK0084HU0549 [0,1,1,0,0,0|1,0,1]=4 62 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,1,1,0,0,0|1,0,1]=4 63 B13R0.2 C#CCC(=O)NCCCCCCCC WXVL_AK1818SB3070 [0,1,1,0,0,0|1,0,1]=4 64 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,1,1,0,0,0|1,0,1]=4 65 B13R0.2 C/C=C/C(=O)NCCCCCCCC WXVL_AK1818SB0340 [0,1,1,0,0,0|1,0,1]=4 66 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,1,1,0,0,0|1,0,1]=4 67 B13R0.2 C=CCC(=O)NCCCCCCCC WXVL_AK1818SB2732 [0,1,1,0,0,0|1,0,1]=4 68 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,1,1,0,0,0|1,0,1]=4 69 B13R0.2 CC#CC(=O)NCCCCCCCC WXVL_AK1818SB1240 [0,1,1,0,0,0|1,0,1]=4 70 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,1,0,0,0|1,0,0]=3 71 B13R0.2 CCCCCCCCCC(=O)NCC WXVL_AK00476SB0447 [0,1,1,0,0,0|1,0,0]=3 72 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,1,1,0,0,0|1,0,1]=4 73 B13R0.2 CCCCCCCCNC(=O)CC#N WXVL_AK1818SB0057 [0,1,1,0,0,0|1,0,1]=4 74 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,1,0,0,0|1,0,0]=3 75 B13R0.2 CCCCCCCCNC(=O)CCC WXVL_AK1818SB0073 [0,1,1,0,0,0|1,0,0]=3 76 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,1,1,0,0,0|1,0,0]=3 77 B13R0.2 CCCCCCCCNC(=O)COC WXVL_AK1818SB0090 [0,1,1,0,0,0|1,0,0]=3 78 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,1,1,0,0,0|1,0,0]=3 79 B13R0.2 CCCCCCCCNC(=O)CSC WXVL_AK1818SB1267 [0,1,1,0,0,0|1,0,0]=3 80 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,1,1,0,0,0|1,0,0]=3 81 B13R0.2 CCCCCCCCNC(=O)NCC WXVL_AK00476YV0182 [0,1,1,0,0,0|1,0,0]=3 82 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,1,1,0,0,0|2,0,0]=4 83 B13R0.2 CCCCOCCCNC(=O)CCC WXVL_AK2310SB0073 [0,1,1,0,0,0|2,0,0]=4 84 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,1,1,0,0,0|2,0,0]=4 85 B13R0.2 CCCCOCCCNC(=O)COC WXVL_AK2310SB0090 [0,1,1,0,0,0|2,0,0]=4 86 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,1,1,0,0,0|2,0,0]=4 87 B13R0.2 CCCCOCCCNC(=O)CSC WXVL_AK2310SB1267 [0,1,1,0,0,0|2,0,0]=4 88 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [0,1,1,0,0,0|2,0,0]=4 89 B13R0.1215 CCCCCCCCNS(=O)(=O)CC WXVL_AK1818HU0028 [0,1,1,0,0,0|2,0,0]=4 90 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0286SB0126 [0,2,0,0,0,0|1,0,1]=4 91 B15R1.137 CCCCCCNC(=O)[C@@H]1CCC(=O)N1 WXVL_AK0286SB0126 [0,2,0,0,0,0|1,0,1]=4 92 B15R1.137 CCCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0286SBF634 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.137 CCCCCCNC(=O)[C@@H]1CNC(=O)O1 WXVL_AK0286SBF634 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [0,0,1,1,0,0|2,0,0]=4 95 B13R1.337 CC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0150 [0,0,1,1,0,0|2,0,0]=4 96 B13R1.382 CCC(=O)N1CCCCC1CCO WXVL_AN2918SB0064 [0,0,1,1,0,0|2,0,0]=4 97 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [0,0,1,1,0,0|2,0,0]=4 98 B13R1.382 CCC(=O)N1CCCCC1COC WXVL_AN0507SB0064 [0,0,1,1,0,0|2,0,0]=4 99 B13R1.382 CCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0064 [0,0,1,1,0,0|2,0,0]=4 100 B13R1.581 CCCCC1CCCN1C(=O)CC WXVL_AN00739SB0064 [0,0,1,1,0,0|1,0,0]=3 101 B13R1.581 CCCCC1CCCN1C(=O)CO WXVL_AN00739SB2706 [0,0,1,1,0,0|2,0,0]=4 102 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [0,0,1,1,0,0|2,0,0]=4 103 B13R1.599 CCC(=O)NCCC1CCCN1C WXVL_AK2343SB0064 [0,0,1,1,0,0|2,0,0]=4 104 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [0,0,1,1,0,0|1,0,0]=3 105 B13R1.718 CCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0064 [0,0,1,1,0,0|1,0,0]=3 106 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [0,0,1,1,0,0|2,0,0]=4 107 B13R1.718 CCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0064 [0,0,1,1,0,0|2,0,0]=4 108 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [0,0,1,1,0,0|2,0,0]=4 109 B13R1.718 CCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0064 [0,0,1,1,0,0|2,0,0]=4 110 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,0,1,1,0,0|2,0,0]=4 111 B13R1.718 O=C(CO)NCCC1CCCCC1 WXVL_AK1287SB2706 [0,0,1,1,0,0|2,0,0]=4