0 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.234 CCCCCCCCCCB(O)O I10259 [0,0,0,0,0,0|1,0,3]=4 3 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,0,0,0,0,0|0,0,2]=2 5 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [0,0,0,0,0,0|1,0,3]=4 7 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,0,0,0,0,0|2,0,1]=3 8 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,0,0,0,0,0|1,0,1]=2 9 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,0,0,0,0,0|0,0,0]=0 10 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,0,0,0,0,0|1,0,2]=3 11 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,0,0,0,0,0|1,0,2]=3 12 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.3 C=CCCCCCCCCCC D70997 [1,0,0,0,0,0|1,0,2]=4 14 B11R0.3 CCCCCCCCCCC=O H10685 [1,0,0,0,0,0|0,0,2]=3 15 B11R0.3 CCCCCCCCCCCO C14193 [1,0,0,0,0,0|0,0,3]=4 16 B11R0.3 CCCCCCCC\C=C\C=O A11393 [1,0,0,0,0,0|0,0,0]=1 17 B11R0.148 C=CCCCCCCCC(=O)O N12000 [1,0,0,0,0,0|0,0,3]=4 18 B11R0.148 CCCCCCCCCC(=O)O D70225 [1,0,0,0,0,0|0,0,1]=2 19 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [1,0,0,0,0,0|0,0,2]=3 20 B11R0.148 CCCCCCCCCC(C)=O F17694 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.148 CCCCCCCCCC(N)=O D89393 [1,0,0,0,0,0|1,0,1]=3 22 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [1,0,0,0,0,0|0,0,1]=2 23 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [1,0,0,0,0,0|1,0,2]=4 24 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [1,0,0,0,0,0|2,0,0]=3 25 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [1,0,0,0,0,0|0,0,3]=4 26 B11R0.148 CCCCOCCOCC(=O)O W16397 [1,0,0,0,0,0|2,0,1]=4 27 B11R0.148 O=C(O)CCCCCCCCBr 54506 [1,0,0,0,0,0|1,0,1]=3 28 B11R0.148 O=C(O)CCCCCCCCO 29995 [1,0,0,0,0,0|1,0,1]=3 29 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [0,1,0,0,0,0|0,0,3]=4 30 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [0,1,0,0,0,0|0,0,3]=4 31 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [0,1,0,0,0,0|1,0,2]=4 32 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [0,1,0,0,0,0|1,0,2]=4 33 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [0,1,0,0,0,0|1,0,2]=4 34 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [0,1,0,0,0,0|1,0,2]=4 35 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,1,0,0,0,0|0,0,2]=3 36 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,1,0,0,0,0|0,0,2]=3 37 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,1,0,0,0,0|0,0,2]=3 38 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,1,0,0,0,0|0,0,2]=3 39 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,0,0,1,0,0|0,0,2]=3 40 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [0,0,0,1,0,0|0,0,2]=3 41 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,0,0,1,0,0|1,0,2]=4 42 B10R0.71 C=CCCCCCCCCBr 29297 [2,0,0,0,0,0|1,0,1]=4 43 B10R0.71 CCCCCCCCN=C=O D94691 [2,0,0,0,0,0|1,0,1]=4 44 B10R0.71 CCCCCCCCNC=O D91867 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.71 CCCCCCC\C=C\C=O A11384 [2,0,0,0,0,0|0,0,0]=2 46 B10R0.71 CCCCC\C=C\C=C\C=O AC8162 [2,0,0,0,0,0|0,0,2]=4 47 B10R0.4 C=CCCCCCCC(=O)O I11998 [2,0,0,0,0,0|0,0,2]=4 48 B10R0.4 CCCCCCCCB(O)O 33153 [2,0,0,0,0,0|1,0,1]=4 49 B10R0.4 CCCCCCCCC(=O)Cl D91690 [2,0,0,0,0,0|1,0,0]=3 50 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [2,0,0,0,0,0|0,0,1]=3 51 B10R0.4 CCCCCCCCC(C)=O D89897 [2,0,0,0,0,0|1,0,0]=3 52 B10R0.4 CCCCCCCOC(=O)Cl 62102 [2,0,0,0,0,0|2,0,0]=4 53 B10R0.4 NCCCCCCCC(=O)O 52148 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.4 O=C(O)CCCCCCCBr C10414 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.4 O=CCCCCCCC(=O)O D80547 [2,0,0,0,0,0|1,0,1]=4 56 B12R0.5 CCCCCCCCCCCC=O D77654 [1,1,0,0,0,0|0,0,2]=4 57 B12R0.4 CCCCCCC[C@H](C)OC(C)=O D88435 [1,1,0,0,0,0|2,0,0]=4 58 B12R0.251 CCCCCCCC[C@H](N)C(=O)O 73329 [1,1,0,0,0,0|0,0,1]=3 59 B14R0.337 CCCCCCCCCCCC(=O)OC D77652 [0,2,0,0,0,0|0,0,2]=4 60 B14R0.337 COC(=O)CCCCCCCCCCBr F20921 [0,2,0,0,0,0|0,0,2]=4 61 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O C74815 [0,2,0,0,0,0|0,0,2]=4 62 B14R0.394 CCCCCCCCCCCCC(=O)O H10745 [0,2,0,0,0,0|0,0,2]=4 63 B14R0.394 O=C(O)CCCCCCCCCCCBr F13219 [0,2,0,0,0,0|0,0,2]=4 64 B14R0.394 O=C(O)CCCCCCCCCCCO O10368 [0,2,0,0,0,0|0,0,2]=4 65 B14R0.393 CCCCCCCCCCC(=O)OCC 78222 [0,2,0,0,0,0|0,0,2]=4 66 B12R1.550 C1=CCCCCCCCCCC1 D89251 [1,0,0,1,0,0|1,0,1]=4 67 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [1,0,0,1,0,0|0,0,1]=3 68 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [1,0,0,1,0,0|0,0,1]=3 69 B12R1.252 O=C(O)CCCC1CCCCC1 F16379 [1,0,0,1,0,0|0,0,1]=3 70 B12R1.252 O=C(O)CCCC1CCNCC1 65108 [1,0,0,1,0,0|1,0,1]=4 71 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 D70226 [0,1,0,1,0,0|0,0,2]=4 72 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 D89886 [0,1,0,1,0,0|0,0,2]=4 73 B14R1.14 CCCCCCCC1=CC=C(O)C=C1 F17029 [0,1,0,1,0,0|1,0,1]=4