0 B15R0.149 CCCCCCCCC(=O)CCCCCC CNP0003490.0 [0,0,0,0,0,0|1,0,0]=1 1 B15R0.149 CCCCCCCCC(C)CCCCCC CNP0602836.0 [0,0,0,0,0,0|2,0,1]=3 2 B15R0.149 CCCCCCCOC(=O)CCCCCC CNP0003070.0 [0,0,0,0,0,0|0,0,0]=0 3 B14R0.145 CCC=CCCOC(=O)CCCCCC CNP0575674.0 [1,0,0,0,0,0|0,0,2]=3 4 B14R0.145 CCCCCCCC(=O)OCCCCC CNP0272380.0 [1,0,0,0,0,0|1,0,0]=2 5 B14R0.145 CCCCCCCC(O)CCCCCC CNP0151041.0 [1,0,0,0,0,0|0,0,2]=3 6 B14R0.145 CCCCCCC[C@@H](C)CCCCCC CNP0316250.1 [1,0,0,0,0,0|1,0,1]=3 7 B14R0.145 CCCCCCC[C@H](C)CCCCCC CNP0316250.2 [1,0,0,0,0,0|1,0,1]=3 8 B14R0.179 O=C(CCCCO)OCCCCCCO CNP0384214.0 [1,0,0,0,0,0|2,0,0]=3 9 B14R0.392 C=CCCCCCC=CCCCCCC CNP0273619.0 [1,0,0,0,0,0|1,0,2]=4 10 B14R0.392 CCCCCC=CCCCCCCCC CNP0295392.0 [1,0,0,0,0,0|1,0,1]=3 11 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [1,0,0,0,0,0|2,0,1]=4 12 B14R0.392 CCCCCCC=CCCCCCC#N CNP0071943.0 [1,0,0,0,0,0|2,0,1]=4 13 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [1,0,0,0,0,0|2,0,1]=4 14 B14R0.392 CCCCCCC=CCCCCCCC CNP0169056.0 [1,0,0,0,0,0|1,0,0]=2 15 B14R0.392 CCCCCCC=CCCCCCCN CNP0143158.0 [1,0,0,0,0,0|2,0,0]=3 16 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [1,0,0,0,0,0|2,0,0]=3 17 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [1,0,0,0,0,0|2,0,0]=3 18 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [1,0,0,0,0,0|2,0,1]=4 19 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [1,0,0,0,0,0|1,0,1]=3 20 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [1,0,0,0,0,0|2,0,1]=4 21 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [1,0,0,0,0,0|2,0,1]=4 22 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [1,0,0,0,0,0|2,0,1]=4 23 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [1,0,0,0,0,0|2,0,1]=4 24 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [1,0,0,0,0,0|1,0,1]=3 25 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [1,0,0,0,0,0|2,0,0]=3 26 B16R0.136 CCCCCCCCC(=O)OCCCCCC CNP0003260.0 [0,1,0,0,0,0|1,0,0]=2 27 B16R0.136 CCCCCCCOC(=O)CCCCCCC CNP0076980.0 [0,1,0,0,0,0|0,0,0]=1 28 B16R0.136 CCCCCCCOS(=O)OCCCCCC CNP0517794.0 [0,1,0,0,0,0|1,0,0]=2 29 B16R0.137 CCCCCCCCC(=O)CCC(=O)OCC CNP0273581.0 [0,1,0,0,0,0|2,0,1]=4 30 B16R0.185 CCCCCC[C@H](C)CCC[C@H](C)CCCC CNP0308309.1 [0,1,0,0,0,0|2,0,1]=4 31 B16R0.194 CCCCCCC(=O)OC(=O)CCCCCC CNP0288014.0 [0,1,0,0,0,0|0,0,1]=2 32 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [0,1,0,0,0,0|2,0,1]=4 33 B16R0.6401 CCCCCCCC=C(C=O)CCCCCC CNP0276964.0 [0,1,0,0,0,0|1,0,0]=2 34 B16R0.6401 CCCCCCCC=C(CBr)CCCCCC CNP0489253.0 [0,1,0,0,0,0|2,0,0]=3 35 B16R0.6401 CCCCCCCC[C@H](CO)CCCCCC CNP0081397.1 [0,1,0,0,0,0|1,0,2]=4 36 B16R0.6603 CCCCCCCCCC(=O)OCCCCC CNP0224546.0 [0,1,0,0,0,0|2,0,0]=3 37 B16R0.6603 CCCCCCCCC[C@H](C)CCCCCC CNP0274515.1 [0,1,0,0,0,0|2,0,1]=4 38 B16R0.6603 CCCCCCCCOC(=O)CCCCCC CNP0002920.0 [0,1,0,0,0,0|0,0,0]=1 39 B16R1.64 CCCCCCCC[C@H](C)C1CCCCC1 CNP0289276.1 [0,0,0,1,0,0|2,0,1]=4 40 B16R1.64 O=C(NCCCCCCCl)N1CCCCC1 CNP0469382.0 [0,0,0,1,0,0|3,0,0]=4 41 B16R1.246 CCCCCC[C@@H]1CC[C@@H](N1)CCCCC CNP0192756.1 [0,0,0,1,0,0|2,0,1]=4 42 B16R1.8816 O=C1CCCC=CCCCCCCCCC1 CNP0316245.0 [0,0,0,1,0,0|1,0,2]=4 43 B16R1.8816 O=C1CCCC=CCCCCCCCCO1 CNP0260386.0 [0,0,0,1,0,0|0,0,2]=3 44 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [0,0,0,1,0,0|1,0,0]=2 45 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [0,0,0,1,0,0|0,0,0]=1 46 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [0,0,0,1,0,0|1,0,0]=2 47 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [0,0,0,1,0,0|1,0,2]=4 48 B16R1.78622 CCCCCC[C@H]1CCCCC[C@H](O1)CC CNP0430060.1 [0,0,0,1,0,0|1,0,2]=4 49 B13R0.165 CCC=CCCC(=O)OCCCCC CNP0407600.0 [2,0,0,0,0,0|0,0,2]=4 50 B13R0.165 CCCCCCC(=O)CCCCCC CNP0508946.0 [2,0,0,0,0,0|0,0,0]=2 51 B13R0.165 CCCCCCC(=O)OCCCCC CNP0002919.0 [2,0,0,0,0,0|0,0,0]=2 52 B13R0.165 CCCCCCC(O)CCCCCC CNP0082295.0 [2,0,0,0,0,0|0,0,2]=4 53 B13R0.336 CCCCC=CCCCCCCCC CNP0076420.0 [2,0,0,0,0,0|1,0,1]=4 54 B13R0.336 CCCCCC#CCCCCCCC CNP0610552.0 [2,0,0,0,0,0|0,0,2]=4 55 B13R0.336 CCCCCCC#CCCCCCC CNP0076786.0 [2,0,0,0,0,0|0,0,2]=4 56 B13R0.336 CCCCCCC=CCCCCCC CNP0084834.0 [2,0,0,0,0,0|0,0,1]=3 57 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [2,0,0,0,0,0|0,0,1]=3 58 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [2,0,0,0,0,0|1,0,1]=4 59 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [2,0,0,0,0,0|1,0,1]=4 60 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [2,0,0,0,0,0|1,0,1]=4 61 B13R0.338 CC=CCCCOC(=O)CCCCC CNP0484575.0 [2,0,0,0,0,0|0,0,2]=4 62 B13R0.338 CCC=CCCOC(=O)CCCCC CNP0115338.0 [2,0,0,0,0,0|0,0,2]=4 63 B13R0.338 CCCC=CC(=O)OCCCCCC CNP0365777.0 [2,0,0,0,0,0|0,0,2]=4 64 B13R0.338 CCCC=CCOC(=O)CCCCC CNP0140480.0 [2,0,0,0,0,0|0,0,2]=4 65 B13R0.338 CCCCCCCC(=O)OCCCC CNP0213733.0 [2,0,0,0,0,0|1,0,0]=3 66 B13R0.338 CCCCCCCC(N)CCCCC CNP0427184.0 [2,0,0,0,0,0|1,0,1]=4 67 B13R0.338 CCCCCCC[C@H](C)CCCCC CNP0183278.1 [2,0,0,0,0,0|1,0,1]=4 68 B13R0.338 CCCCCCOC(=O)CCCCC CNP0314778.0 [2,0,0,0,0,0|0,0,0]=2 69 B13R0.338 CCCCCCOS(=O)OCCCC CNP0587328.0 [2,0,0,0,0,0|2,0,0]=4 70 B13R0.66 CCCCCCCOC(=O)CCCC CNP0231760.0 [2,0,0,0,0,0|0,0,0]=2 71 B15R0.133 CCCC=CCOC(=O)CCCCCCC CNP0193098.0 [1,1,0,0,0,0|0,0,2]=4 72 B15R0.133 CCCCCCCC(=O)CCCCCCC CNP0109225.0 [1,1,0,0,0,0|0,0,0]=2 73 B15R0.133 CCCCCCCC(=O)OCCCCCC CNP0359123.0 [1,1,0,0,0,0|0,0,0]=2 74 B15R0.133 CCCCCCCC(O)CCCCCCC CNP0547904.0 [1,1,0,0,0,0|0,0,2]=4 75 B15R0.133 CCCCCCOC(C)OCCCCCC CNP0313057.0 [1,1,0,0,0,0|1,0,1]=4 76 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC CNP0207879.0 [1,1,0,0,0,0|1,0,1]=4 77 B15R0.1954 CCCCCCC(=O)C(=O)CCCCCC CNP0597610.0 [1,1,0,0,0,0|0,0,1]=3 78 B15R0.2061 CCCCCCC(O)CCC(O)CCCC CNP0513185.0 [1,1,0,0,0,0|0,0,2]=4 79 B15R0.322 CCCCCC(=O)OCCCOCCCC CNP0222713.0 [1,1,0,0,0,0|0,0,0]=2 80 B15R0.322 CCCCCCC=COC(=O)CCCCC CNP0519859.0 [1,1,0,0,0,0|0,0,1]=3 81 B15R0.322 CCCCCCCC=CC(=O)OCCCC CNP0002822.0 [1,1,0,0,0,0|2,0,0]=4 82 B15R0.322 CCCCCCCCCC(=O)OCCCC CNP0288450.0 [1,1,0,0,0,0|2,0,0]=4 83 B15R0.322 CCCCCCCCOC(=O)CCCCC CNP0294728.0 [1,1,0,0,0,0|0,0,0]=2 84 B15R0.322 CCCCOC(=O)CCCCCCCCO CNP0299327.0 [1,1,0,0,0,0|2,0,0]=4 85 B15R0.367 CCCCCCCCC(=O)OCCC(C)C CNP0284530.0 [1,1,0,0,0,0|2,0,0]=4 86 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [1,1,0,0,0,0|1,0,1]=4 87 B15R0.70 CCCCCCC#CCCCCCCCC CNP0611378.0 [1,1,0,0,0,0|1,0,1]=4 88 B15R0.70 CCCCCCC=CCCCCCCCC CNP0076332.0 [1,1,0,0,0,0|1,0,0]=3 89 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [1,1,0,0,0,0|1,0,1]=4 90 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [1,1,0,0,0,0|1,0,1]=4 91 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [1,1,0,0,0,0|1,0,1]=4 92 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [1,1,0,0,0,0|1,0,1]=4 93 B15R0.70 CCCCCCCSSCCCCCCC CNP0275702.0 [1,1,0,0,0,0|0,1,1]=4 94 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [1,1,0,0,0,0|1,0,1]=4 95 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [1,1,0,0,0,0|1,0,1]=4 96 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [1,1,0,0,0,0|1,0,1]=4 97 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [1,1,0,0,0,0|1,0,1]=4 98 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [1,1,0,0,0,0|1,0,1]=4 99 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [1,1,0,0,0,0|1,0,1]=4 100 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [1,1,0,0,0,0|1,0,1]=4 101 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [1,1,0,0,0,0|1,0,1]=4 102 B15R0.2002 CCCCCCCCCC[C@H](C)CCCC CNP0220611.1 [1,1,0,0,0,0|1,0,1]=4 103 B17R0.97 CCCCCCCCC(=O)CCCCC(=O)OC CNP0355088.0 [0,2,0,0,0,0|1,0,1]=4 104 B17R0.104 CCCCCCCCC(=O)CCCCCCCC CNP0156685.0 [0,2,0,0,0,0|1,0,0]=3 105 B17R0.7631 CCCCCCOC(=O)C[C@H](O)CCCCCC CNP0181554.1 [0,2,0,0,0,0|1,0,0]=3 106 B17R0.8809 CCCCCC=CCCC(=O)CCCCCCO CNP0319740.0 [0,2,0,0,0,0|1,0,1]=4 107 B17R0.8809 CCCCCCCCC=C(C)CCCCCCO CNP0017809.0 [0,2,0,0,0,0|2,0,0]=4 108 B17R0.8809 CCCCCCCCCC(=O)OCCCCCC CNP0094983.0 [0,2,0,0,0,0|1,0,0]=3 109 B17R0.8809 CCCCCCCCOC(=O)CCCCCCC CNP0003121.0 [0,2,0,0,0,0|0,0,0]=2 110 B17R0.13545 CCCCCCCC(=O)C(=O)CCCCCCC CNP0520673.0 [0,2,0,0,0,0|1,0,0]=3 111 B17R0.13545 CCCCCCCC(=O)[C@H](O)CCCCCCC CNP0269867.1 [0,2,0,0,0,0|1,0,0]=3 112 B17R0.9420 CC(C)CCCCCCC(=O)OCCCC(C)C CNP0076327.0 [0,2,0,0,0,0|2,0,0]=4 113 B17R0.6472 CCCCCCCCC(CCCCCC)C(=O)O CNP0352055.0 [0,2,0,0,0,0|1,0,1]=4 114 B17R0.12412 CCCCCCCCCCC(=O)CCCCCC CNP0003494.0 [0,2,0,0,0,0|1,0,0]=3 115 B17R0.12412 CCCCCCCCCCC(=O)OCCCCC CNP0267990.0 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [1,0,0,1,0,0|0,0,2]=4 117 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [1,0,0,1,0,0|0,0,2]=4 118 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [1,0,0,1,0,0|0,0,0]=2 119 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [1,0,0,1,0,0|0,0,0]=2 120 B15R1.35 CCCCCCCC=CC1CCCCC1 CNP0086321.0 [1,0,0,1,0,0|1,0,0]=3 121 B15R1.35 CCCCCCCCCC1CCCCC1 CNP0080463.0 [1,0,0,1,0,0|1,0,1]=4 122 B15R1.2988 C1CCCCCCCCCCCCCC1 CNP0076970.0 [1,0,0,1,0,0|1,0,1]=4 123 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CNP0332126.0 [0,1,0,1,0,0|0,0,0]=2 124 B17R1.12275 CCC[C@H]1CCCCCCCC(=O)OCCN1 CNP0108423.1 [0,1,0,1,0,0|1,0,0]=3 125 B17R1.75170 O=C1CCCCCCC(=O)OCCC(CC1)O CNP0527876.0 [0,1,0,1,0,0|1,0,1]=4 126 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.1 [0,1,0,1,0,0|1,0,0]=3 127 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.2 [0,1,0,1,0,0|1,0,0]=3 128 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)O1 CNP0117066.1 [0,1,0,1,0,0|0,0,0]=2 129 B17R1.444 O=C1CCCCCCCCCCCCCC1O CNP0524324.0 [0,1,0,1,0,0|1,0,0]=3 130 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 CNP0236947.0 [0,1,0,1,0,0|1,0,1]=4 131 B17R1.754 CCCCCCCC=CC(=O)N1CCCCC1 CNP0090363.0 [0,1,0,1,0,0|2,0,0]=4