0 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [1,0,0,0,0,0|1,0,1]=3 6 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [1,0,0,0,0,0|0,0,2]=3 8 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [1,0,0,0,0,0|0,0,2]=3 9 B10R0.4 NCCCCCCCC(=O)O PI-24013 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.71 CCCCCC=CC=CC=O PI-48529 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.71 CCCCCC=CCCC=O PI-20940 [1,0,0,0,0,0|0,0,0]=1 12 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,1,0,0,0,0|0,0,3]=4 13 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,1,0,0,0,0|1,0,2]=4 14 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,1,0,0,0,0|1,0,2]=4 15 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,1,0,0,0,0|0,0,2]=3 16 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,0,0,1,0,0|0,0,2]=3 17 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,0,0,1,0,0|0,0,2]=3 18 B12R1.252 C1CCC(CC1)CCCC(=O)O PI-27597 [0,0,0,1,0,0|0,0,2]=3 19 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,0,0,1,0,0|0,0,3]=4 20 B12R1.252 C1CNCCC1CCCC(=O)O PI-26940 [0,0,0,1,0,0|1,0,2]=4 21 B9R0.2 B(C=CCCCCC)(O)O PI-25691 [2,0,0,0,0,0|1,0,1]=4 22 B9R0.2 BrCCCCCCC(=O)O PI-36573 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.2 NCCCCCCC(=O)O PI-11340 [2,0,0,0,0,0|1,0,0]=3 26 B9R0.2 O=C(O)CCCCCCO PI-37225 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.45 CCCCCCC=CCO PI-46869 [2,0,0,0,0,0|0,0,2]=4 28 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [2,0,0,0,0,0|0,0,2]=4 29 B11R0.2 CCCCCCC(CC(=O)O)O PI-29567 [1,1,0,0,0,0|0,0,1]=3 30 B11R0.30 CC(C)CCCCCCC(=O)O PI-29732 [1,1,0,0,0,0|0,0,1]=3 31 B11R0.42 CCCCCCCC(C(=O)O)N PI-29685 [1,1,0,0,0,0|0,0,1]=3 32 B11R0.42 CCCCCCCC(C(=O)O)O PI-29857 [1,1,0,0,0,0|0,0,1]=3 33 B11R0.46 CCCCCC(C)CCC(=O)O PI-29603 [1,1,0,0,0,0|0,0,1]=3 34 B11R0.46 CCCCCN(C)CCC(=O)O PI-21908 [1,1,0,0,0,0|1,0,0]=3 35 B11R0.159 CCCCCCCCP(=O)(O)O PI-40610 [1,1,0,0,0,0|1,0,1]=4 36 B13R0.54 C(CCCCCO)CCCCC(=O)O PI-20902 [0,2,0,0,0,0|0,0,2]=4 37 B13R0.54 C(CCCCCS)CCCCC(=O)O PI-46874 [0,2,0,0,0,0|0,0,2]=4 38 B13R0.54 NCCCCCCCCCCC(O)=O PI-42137 [0,2,0,0,0,0|0,0,2]=4 39 B13R0.54 O=C(O)CCCCCCCCCCBr PI-42134 [0,2,0,0,0,0|0,0,2]=4 40 B13R0.147 CCCCCCCCCCC(=O)OC PI-43372 [0,2,0,0,0,0|0,0,2]=4 41 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [1,0,0,1,0,0|0,0,1]=3 42 B11R1.742 C1CCC=C(CC1)CC(=O)[O-] PI-40737 [1,0,0,1,0,0|0,0,1]=3 43 B13R1.337 OC(=O)CCCCC1CCCCC1 PI-30754 [0,1,0,1,0,0|0,0,2]=4 44 B13R1.351 O=C(O)[C@@H](N)CCC1CCCCC1 PI-42141 [0,1,0,1,0,0|0,0,2]=4 45 B13R1.351 O=C(O)[C@H](N)CCC1CCCCC1 PI-42139 [0,1,0,1,0,0|0,0,2]=4 46 B13R1.45 C1CCN(CC1)C(=O)CCC(=O)O PI-26664 [0,1,0,1,0,0|1,0,0]=3 47 B13R1.45 C1CN(CCN1)C(=O)CCC(=O)O PI-14680 [0,1,0,1,0,0|2,0,0]=4