0 B21R0.37067 CCCCCC(C(CC=CCCCCCCCC(=O)O)O)O D351350 [0,0,0,0,0,0|0,0,0]=0 1 B20R0.90 CCCCCCC(CC=CCCCCCCCC(=O)O)O R110071 [1,0,0,0,0,0|0,0,0]=1 2 B20R0.90 CCCCCCC(CC=CCCCCCCCC(=O)O)O R110072 [1,0,0,0,0,0|0,0,0]=1 3 B20R0.90 CCCCCCC(CC=CCCCCCCCC(=O)O)O R352054 [1,0,0,0,0,0|0,0,0]=1 4 B20R0.90 CCCCCCC(CC=CCCCCCCCC(=O)[O-])O S161311 [1,0,0,0,0,0|0,0,1]=2 5 B20R0.90 CCCCCCC(CCCCCCCCCCC(=O)O)O H157144 [1,0,0,0,0,0|0,0,2]=3 6 B20R0.32990 CCCCCC(\C=C\C=C/CCCCCCCC(=O)O)O H351342 [1,0,0,0,0,0|0,0,2]=3 7 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L100441 [2,0,0,0,0,0|0,0,2]=4 8 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L100442 [2,0,0,0,0,0|0,0,2]=4 9 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L100446 [2,0,0,0,0,0|0,0,2]=4 10 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L100447 [2,0,0,0,0,0|0,0,2]=4 11 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L349597 [2,0,0,0,0,0|0,0,2]=4 12 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L357598 [2,0,0,0,0,0|0,0,2]=4 13 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O L425012 [2,0,0,0,0,0|0,0,2]=4 14 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O E275591 [2,0,0,0,0,0|0,0,2]=4 15 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O Z275725 [2,0,0,0,0,0|0,0,2]=4 16 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O F196323 [2,0,0,0,0,0|0,0,2]=4 17 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl O102090 [2,0,0,0,0,0|1,0,0]=3 18 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl O137885 [2,0,0,0,0,0|1,0,0]=3 19 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N O105240 [2,0,0,0,0,0|1,0,0]=3 20 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O E101311 [2,0,0,0,0,0|0,0,0]=2 21 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O E101312 [2,0,0,0,0,0|0,0,0]=2 22 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O108484 [2,0,0,0,0,0|0,0,0]=2 23 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O108485 [2,0,0,0,0,0|0,0,0]=2 24 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O108486 [2,0,0,0,0,0|0,0,0]=2 25 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O108487 [2,0,0,0,0,0|0,0,0]=2 26 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O409516 [2,0,0,0,0,0|0,0,0]=2 27 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O420662 [2,0,0,0,0,0|0,0,0]=2 28 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O431503 [2,0,0,0,0,0|0,0,0]=2 29 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O O491236 [2,0,0,0,0,0|0,0,0]=2 30 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] I301817 [2,0,0,0,0,0|0,0,1]=3 31 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] P100097 [2,0,0,0,0,0|0,0,1]=3 32 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] P118571 [2,0,0,0,0,0|0,0,1]=3 33 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] S104195 [2,0,0,0,0,0|0,0,1]=3 34 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] S104196 [2,0,0,0,0,0|0,0,1]=3 35 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S108287 [2,0,0,0,0,0|0,0,2]=4 36 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S108288 [2,0,0,0,0,0|0,0,2]=4 37 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S108289 [2,0,0,0,0,0|0,0,2]=4 38 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S108290 [2,0,0,0,0,0|0,0,2]=4 39 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S196322 [2,0,0,0,0,0|0,0,2]=4 40 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S304679 [2,0,0,0,0,0|0,0,2]=4 41 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S345526 [2,0,0,0,0,0|0,0,2]=4 42 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S424818 [2,0,0,0,0,0|0,0,2]=4 43 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S432958 [2,0,0,0,0,0|0,0,2]=4 44 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O S472170 [2,0,0,0,0,0|0,0,2]=4 45 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O T331776 [2,0,0,0,0,0|0,0,2]=4 46 B21R0.21192 CCCCCCC(CC=CCCCCCCCC(=O)OC)O M101313 [1,1,0,0,0,0|0,0,0]=2 47 B21R0.21192 CCCCCCC(CC=CCCCCCCCC(=O)OC)O M101314 [1,1,0,0,0,0|0,0,0]=2 48 B21R0.21192 CCCCCCC(CC=CCCCCCCCC(=O)OC)O M331397 [1,1,0,0,0,0|0,0,0]=2 49 B21R0.21192 CCCCCCC(CCCCCCCCCCC(=O)OC)O M465613 [1,1,0,0,0,0|0,0,2]=4 50 B21R0.21192 CCCCCCC(CCCCCCCCCCC(=O)OC)O M598573 [1,1,0,0,0,0|0,0,2]=4 51 B21R0.36906 CCCCCC(C=CC=CCCCCCCCC(=O)O)OO H274925 [1,1,0,0,0,0|0,0,2]=4