0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O CS-0020696 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CS-0016049 [0,0,0,0,0,0|0,0,3]=3 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CS-0181985 [0,0,0,0,0,0|0,0,3]=3 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CS-0204521 [0,0,0,0,0,0|0,0,3]=3 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CS-W019201 [0,0,0,0,0,0|0,0,3]=3 5 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O CS-0196615 [0,0,0,0,0,0|1,0,2]=3 6 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O CS-0185766 [0,0,0,0,0,0|2,0,2]=4 7 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)Cl CS-0185582 [0,0,0,0,0,0|1,0,0]=1 8 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O CS-1045930 [0,0,0,0,0,0|0,0,0]=0 9 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)O CS-0136110 [0,0,0,0,0,0|0,0,4]=4 10 B19R0.149 CCCCC\C=C/C=C/CCCCCCCCC(=O)O CS-0065803 [0,0,0,0,0,0|0,0,4]=4 11 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O CS-0009742 [0,0,0,0,0,0|0,0,2]=2 12 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O CS-0092092 [0,0,0,0,0,0|0,0,2]=2 13 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CS-W004284 [1,0,0,0,0,0|0,0,1]=2 14 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O CS-0179191 [1,0,0,0,0,0|1,0,1]=3 15 B18R0.176 CCCCCC\C=C/CCCCCCCCC(=O)O CS-0063575 [1,0,0,0,0,0|0,0,2]=3 16 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr CS-0091012 [1,0,0,0,0,0|1,0,1]=3 17 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO CS-0068707 [1,0,0,0,0,0|1,0,1]=3 18 B18R0.221 C(CCCCCCCC)=CCCCCCCCCBr CS-W011954 [1,0,0,0,0,0|1,0,1]=3 19 B18R0.221 C=CCCCCCCCCCCCCCCCCC CS-0196916 [1,0,0,0,0,0|1,0,2]=4 20 B18R0.221 CCCCCCCCCCCCCCCCCC=O CS-W004307 [1,0,0,0,0,0|0,0,2]=3 21 B18R0.221 CCCCCCCCCCCCCCCCCCO CS-D1671 [1,0,0,0,0,0|0,0,3]=4 22 B18R0.221 CCCCCCCC\C=C/CCCCCCCCCl CS-0447737 [1,0,0,0,0,0|1,0,1]=3 23 B18R0.221 CCCCCCCC\C=C/CCCCCCCCN CS-W012412 [1,0,0,0,0,0|1,0,1]=3 24 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO CS-0181666 [1,0,0,0,0,0|0,0,1]=2 25 B18R0.221 CCCCC\C=C/C\C=C/CCCCCCCCO CS-W005627 [1,0,0,0,0,0|0,0,3]=4 26 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O CS-0185570 [0,1,0,0,0,0|0,0,2]=3 27 B20R0.3034 C(CCCCC)=CC\C=CCCCCCCCC(=O)O[Na] CS-W012114 [0,1,0,0,0,0|0,0,2]=3 28 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC CS-D1357 [0,1,0,0,0,0|0,0,2]=3 29 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)O[K] CS-0198179 [0,1,0,0,0,0|0,0,2]=3 30 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)O[Na] CS-0152212 [0,1,0,0,0,0|0,0,2]=3 31 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC CS-0022975 [0,1,0,0,0,0|0,0,0]=1 32 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)O[Na] CS-0107318 [0,1,0,0,0,0|0,0,0]=1 33 B20R0.3034 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC CS-0046123 [0,1,0,0,0,0|0,0,2]=3 34 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O CS-W004261 [0,1,0,0,0,0|0,0,2]=3 35 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO CS-0158381 [0,1,0,0,0,0|0,0,2]=3 36 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 CS-0160666 [0,0,0,1,0,0|0,0,2]=3 37 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CS-W021044 [2,0,0,0,0,0|0,0,2]=4 38 B17R0.43 C(CCCCCC)=CCCCCCCCC(=O)O CS-W012589 [2,0,0,0,0,0|0,0,0]=2 39 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CS-0009861 [2,0,0,0,0,0|0,0,0]=2 40 B17R0.43 CCCCCCCCCCCCCCCC(N)=O CS-0081845 [2,0,0,0,0,0|1,0,0]=3 41 B17R0.43 CCCCCCCCCCCCCCOC(C)=O CS-W023024 [2,0,0,0,0,0|2,0,0]=4 42 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr CS-W007241 [2,0,0,0,0,0|1,0,0]=3 43 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CS-0158376 [2,0,0,0,0,0|1,0,0]=3 44 B17R0.117 CCCCCCCCCCCCCCCCCO CS-W004296 [2,0,0,0,0,0|0,0,2]=4 45 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC CS-W004290 [1,1,0,0,0,0|0,0,1]=3 46 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr CS-0129058 [1,1,0,0,0,0|1,0,1]=4 47 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC CS-W014525 [0,2,0,0,0,0|0,0,2]=4 48 B21R0.2907 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC CS-W014528 [0,2,0,0,0,0|0,0,2]=4 49 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC CS-W004262 [0,2,0,0,0,0|0,0,2]=4 50 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O CS-W004260 [0,2,0,0,0,0|0,0,2]=4 51 B21R0.81 CCCCCCCC\C=C\CCCCCCCCCC(=O)O CS-0135847 [0,2,0,0,0,0|0,0,0]=2 52 B21R0.9014 O=C(O)CCCCCCC\C=C\CCCCCCCC(=O)O CS-W022929 [0,2,0,0,0,0|0,0,1]=3