0 B12R0.5 CCCCCCCCCCCC#N NPA024359 [1,0,0,0,0,0|1,0,1]=3 1 B12R0.234 CCCCCCCCCCC(=O)C NPA003731 [1,0,0,0,0,0|1,0,0]=2 2 B14R0.68 CC(C)CCCCCCCCCC(=O)O NPA016842 [0,1,0,0,0,0|0,0,0]=1 3 B14R0.305 CCC(C)CCCCCCCCC(=O)C NPA010285 [0,1,0,0,0,0|1,0,0]=2 4 B14R0.391 CCCCCC/C=C\CC(C)CC(=O)O NPA024395 [0,1,0,0,0,0|0,0,2]=3 5 B14R0.394 CC(C)CCCCCCCCCCCN NPA000632 [0,1,0,0,0,0|2,0,1]=4 6 B14R0.394 CCCCCCCCCCCCC(=O)C NPA004307 [0,1,0,0,0,0|1,0,0]=2 7 B14R1.122 CCCCCC/C=C/[C@H]1CCC(=O)O1 NPA009872 [0,0,0,1,0,0|0,0,2]=3 8 B14R1.122 CCCCCC/C=C\[C@H]1CCC(=O)O1 NPA004736 [0,0,0,1,0,0|0,0,2]=3 9 B14R1.122 CCCCCCCCC1CCC(=O)O1 NPA013451 [0,0,0,1,0,0|0,0,0]=1 10 B14R1.326 CC1C/C=C/CCCCCCC(=O)O1 NPA002710 [0,0,0,1,0,0|0,0,2]=3 11 B11R0.3 CCCCCCCCCCCC NPA001623 [2,0,0,0,0,0|0,0,1]=3 12 B11R0.148 CCCCCCC/C=C/C(=O)O NPA006766 [2,0,0,0,0,0|0,0,2]=4 13 B13R0.336 CCCCCCCCCCCCC#N NPA024360 [1,1,0,0,0,0|1,0,1]=4 14 B13R0.336 CCCCCCCCCCCCC=C NPA015644 [1,1,0,0,0,0|1,0,0]=3 15 B13R0.179 CC(C)CCCCCCCCC(=O)C NPA012703 [1,1,0,0,0,0|1,0,0]=3 16 B15R0.110 CCCC(C/C=C/C(CCCC(=O)O)O)O NPA002169 [0,2,0,0,0,0|0,0,2]=4 17 B15R0.221 CC(O)CCCCCC(O)C/C=C/C(=O)O NPA030564 [0,2,0,0,0,0|0,0,2]=4 18 B15R0.323 CCCCCCCC(C)CC[C@@H](C)C(=O)O NPA012603 [0,2,0,0,0,0|0,0,0]=2 19 B15R0.3451 CCCC[C@H](C#C[C@H](CCCC(=O)O)O)O NPA013737 [0,2,0,0,0,0|0,0,2]=4 20 B15R0.226 CC(O)CC(O)CCCCC/C=C/C(=O)O NPA030565 [0,2,0,0,0,0|0,0,2]=4 21 B15R0.247 CCC(C)CCCCCCCCCC(=O)C NPA008793 [0,2,0,0,0,0|1,0,0]=3 22 B15R0.2662 CC(C)(CCCCCCCCCC(=O)N)O NPA023268 [0,2,0,0,0,0|1,0,0]=3 23 B15R0.2704 C[C@H](CCCCCC[C@@H](/C=C/C(=O)O)O)O NPA003395 [0,2,0,0,0,0|0,0,2]=4 24 B15R0.1566 CCCCC[C@@H](C/C=C/CCC(=O)O)OC NPA015470 [0,2,0,0,0,0|0,0,2]=4 25 B15R0.172 CCC(C)CCCCCCCCC(=O)CC NPA005867 [0,2,0,0,0,0|1,0,0]=3 26 B15R0.81 COC(=O)CCCCCCCCCCCO NPA010466 [0,2,0,0,0,0|0,0,0]=2 27 B15R0.164 CCCCCC/C=C\CCCCCC(=O)C NPA004345 [0,2,0,0,0,0|1,0,0]=3 28 B15R0.164 CCCCCC/C=C\CCCCCC(=O)O NPA010688 [0,2,0,0,0,0|0,0,0]=2 29 B15R0.222 CC(C)CCC/C=C\CCCCCC(=O)C NPA006208 [0,2,0,0,0,0|1,0,1]=4 30 B15R0.222 CC(C)CCCCCCCCCCC(=O)O NPA020668 [0,2,0,0,0,0|0,0,0]=2 31 B15R0.222 C[C@@H](CCCCCCCCCCC(C)C)O NPA001234 [0,2,0,0,0,0|1,0,1]=4 32 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O NPA030806 [1,0,0,1,0,0|0,0,0]=2 33 B15R1.1941 CCCCCCC[C@@H]1C[C@H]1CCC(=O)O NPA018763 [0,1,0,1,0,0|0,0,0]=2 34 B15R1.7161 CCCC1C/C=C\[C@H](CCCC(=O)O1)O NPA012255 [0,1,0,1,0,0|0,0,2]=4 35 B15R1.7161 CCCC1CCC[C@@H](CCCC(=O)O1)O NPA006503 [0,1,0,1,0,0|0,0,0]=2 36 B15R1.11847 CCCCCC[C@H]1C[C@H]1CCCC(=O)O NPA030805 [0,1,0,1,0,0|0,0,0]=2 37 B15R1.25751 C[C@@H]1C/C=C/CC[C@@H](CCCC(=O)O1)O NPA026533 [0,1,0,1,0,0|0,0,2]=4 38 B15R1.25751 C[C@@H]1C/C=C/CC[C@H](CCCC(=O)O1)O NPA026534 [0,1,0,1,0,0|0,0,2]=4 39 B15R1.25751 C[C@@H]1C/C=C/[C@@H](CCCCCC(=O)O1)O NPA032328 [0,1,0,1,0,0|0,0,2]=4 40 B15R1.110 CC(CCCCCC[C@H]1CCC(=O)O1)O NPA008903 [0,1,0,1,0,0|0,0,0]=2 41 B15R1.27735 CCC[C@@H]1C[C@H](/C=C/CCCC(=O)O1)O NPA017687 [0,1,0,1,0,0|0,0,2]=4 42 B15R1.27735 CCC[C@H]1C[C@H](/C=C/CCCC(=O)O1)O NPA026335 [0,1,0,1,0,0|0,0,2]=4 43 B15R1.942 CCC(C)CCCCC1CCCC(=O)O1 NPA016165 [0,1,0,1,0,0|0,0,0]=2 44 B15R1.961 CCC(C)CCCCCC1=CCC(=O)O1 NPA012027 [0,1,0,1,0,0|0,0,2]=4 45 B15R1.961 CCC(C)CCCCCC1C=CC(=O)O1 NPA006560 [0,1,0,1,0,0|0,0,2]=4 46 B15R1.961 CCC(C)CCCCCC1CCC(=O)O1 NPA002095 [0,1,0,1,0,0|0,0,0]=2 47 B15R1.961 CCC(CCCCC[C@H]1C=CC(=O)O1)O NPA010710 [0,1,0,1,0,0|0,0,2]=4 48 B15R1.961 CC[C@H](C)CCCCC[C@H]1C=CC(=O)O1 NPA029938 [0,1,0,1,0,0|0,0,2]=4 49 B15R1.961 CC[C@H](CCCCC[C@H]1CCC(=O)O1)O NPA015254 [0,1,0,1,0,0|0,0,0]=2 50 B15R1.12434 CC[C@H](C)CCC[C@H]1CCCCC(=O)O1 NPA014617 [0,1,0,1,0,0|0,0,0]=2 51 B15R1.11891 CCCCCC/C=C\C[C@@H]1C[C@H]1C(=O)O NPA024392 [0,1,0,1,0,0|0,0,1]=3 52 B15R1.1010 CCCCCCC[C@@H]1C[C@H](CC(=O)O1)O NPA034645 [0,1,0,1,0,0|0,0,0]=2 53 B15R1.5365 CCCCC/C=C\C[C@H]1[C@@H](CC(=O)O1)C NPA017505 [0,1,0,1,0,0|0,0,2]=4 54 B15R1.3995 CC/C=C\C[C@@H]1[C@H](CC[C@@H]1O)CC(=O)O NPA017594 [0,1,0,1,0,0|0,0,2]=4