0 B19R0.149 C#CCCCC=CCC=CCCCCCCCC(=O)O MCULE-8464652713 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 C(=CCC=CCCCCCCCC(=O)[O-])CCCCC MCULE-1720910553 [0,0,0,0,0,0|0,0,3]=3 2 B19R0.149 CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O MCULE-2042576989 [0,0,0,0,0,0|0,0,4]=4 3 B19R0.149 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O MCULE-6594867113 [0,0,0,0,0,0|0,0,4]=4 4 B19R0.149 CCC=CC=CC=CC=CCCCCCCCC(=O)O MCULE-5429435718 [0,0,0,0,0,0|0,0,4]=4 5 B19R0.149 CCC=CCC=CCC=CCCCCCCCC(=O)O MCULE-8042162865 [0,0,0,0,0,0|0,0,4]=4 6 B19R0.149 CCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-1460805964 [0,0,0,0,0,0|0,0,4]=4 7 B19R0.149 CCCCC/C=C/C/C=C/CCCCCCCC(=O)O MCULE-9671518710 [0,0,0,0,0,0|0,0,2]=2 8 B19R0.149 CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O MCULE-6825958553 [0,0,0,0,0,0|0,0,4]=4 9 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl MCULE-6827945261 [0,0,0,0,0,0|1,0,2]=3 10 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)N MCULE-7860164761 [0,0,0,0,0,0|1,0,2]=3 11 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O MCULE-1893075589 [0,0,0,0,0,0|0,0,2]=2 12 B19R0.149 CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-] MCULE-5401047890 [0,0,0,0,0,0|0,0,3]=3 13 B19R0.149 CCCCC/C=C\C=C\C=C\CCCCCCC(=O)O MCULE-5088543212 [0,0,0,0,0,0|0,0,2]=2 14 B19R0.149 CCCCC/C=C\C=C\CCCCCCCCC(=O)O MCULE-3950099456 [0,0,0,0,0,0|0,0,0]=0 15 B19R0.149 CCCCC=CC=CC=CCCCCCCCC(=O)O MCULE-1298774481 [0,0,0,0,0,0|0,0,2]=2 16 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O MCULE-2741584353 [0,0,0,0,0,0|0,0,4]=4 17 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)O MCULE-7560777471 [0,0,0,0,0,0|0,0,2]=2 18 B19R0.149 CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-] MCULE-3471454739 [0,0,0,0,0,0|0,0,3]=3 19 B19R0.149 CCCCCC/C=C/CCCCCCCCCC(=O)O MCULE-6829224594 [0,0,0,0,0,0|0,0,2]=2 20 B19R0.149 CCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-4733251398 [0,0,0,0,0,0|0,0,2]=2 21 B19R0.149 CCCCCC=CC=CC=CCCCCCCC(=O)O MCULE-8937465994 [0,0,0,0,0,0|0,0,2]=2 22 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O MCULE-9350642069 [0,0,0,0,0,0|0,0,0]=0 23 B19R0.149 CCCCCC=CCC=CCC=CCCCCC(=O)O MCULE-8329957739 [0,0,0,0,0,0|0,0,4]=4 24 B19R0.149 CCCCCC=CCC=CCCC=CCCCC(=O)O MCULE-4170241546 [0,0,0,0,0,0|0,0,4]=4 25 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)Cl MCULE-8339630929 [0,0,0,0,0,0|1,0,2]=3 26 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)N MCULE-1749485522 [0,0,0,0,0,0|1,0,2]=3 27 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O MCULE-4653646367 [0,0,0,0,0,0|0,0,2]=2 28 B19R0.149 CCCCCCC=CC#CCCCCCCCC(=O)O MCULE-2923525160 [0,0,0,0,0,0|0,0,3]=3 29 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O MCULE-7336256238 [0,0,0,0,0,0|0,0,2]=2 30 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)[O-] MCULE-1021972744 [0,0,0,0,0,0|0,0,3]=3 31 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)Cl MCULE-2900877236 [0,0,0,0,0,0|1,0,2]=3 32 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O MCULE-1673564563 [0,0,0,0,0,0|0,0,2]=2 33 B19R0.149 CCCCCCCC/C=C/CCCCCCCC(=O)O MCULE-3046418352 [0,0,0,0,0,0|0,0,4]=4 34 B19R0.149 CCCCCCCC/C=C\CCCCCCCC(=O)O MCULE-6044533117 [0,0,0,0,0,0|0,0,4]=4 35 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O MCULE-9461095927 [0,0,0,0,0,0|0,0,2]=2 36 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O MCULE-9547538729 [0,0,0,0,0,0|0,0,4]=4 37 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O MCULE-5127577640 [0,0,0,0,0,0|0,0,4]=4 38 B19R0.149 CCCCCCCCSCCCCCCCCC(=O)O MCULE-1789714511 [0,0,0,0,0,0|1,0,3]=4 39 B18R0.176 CCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7425245696 [1,0,0,0,0,0|0,0,1]=2 40 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O MCULE-8054022250 [1,0,0,0,0,0|0,0,1]=2 41 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O MCULE-9357391090 [1,0,0,0,0,0|0,0,3]=4 42 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCC=O MCULE-4225998454 [1,0,0,0,0,0|0,0,2]=3 43 B18R0.221 CCCCC/C=C\C/C=C\CCCCCCCCO MCULE-9609584782 [1,0,0,0,0,0|0,0,3]=4 44 B18R0.221 CCCCCC=CCC=CCCCCCCCC=O MCULE-8122185913 [1,0,0,0,0,0|0,0,2]=3 45 B18R0.221 CCCCCC=CCC=CCCCCCCCCO MCULE-2050070328 [1,0,0,0,0,0|0,0,3]=4 46 B20R0.68 CCCCC/C=C\CC(=O)CCCCCCCCC(=O)O MCULE-3623822962 [0,1,0,0,0,0|0,0,1]=2 47 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-8826251310 [0,1,0,0,0,0|0,0,3]=4 48 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O MCULE-1566577041 [0,1,0,0,0,0|0,0,3]=4 49 B20R0.3034 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC MCULE-4142533371 [0,1,0,0,0,0|0,0,2]=3 50 B20R0.3034 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC MCULE-1089286417 [0,1,0,0,0,0|0,0,2]=3 51 B20R0.3034 CCCCC=CC=CC=CCCCCCCCC(=O)OC MCULE-3713250640 [0,1,0,0,0,0|0,0,2]=3 52 B20R0.3034 CCCCCC=CC=CCCCCCCCCC(=O)OC MCULE-4652346494 [0,1,0,0,0,0|0,0,0]=1 53 B20R0.3034 CCCCCC=CCC=CCCCCCCCC(=O)OC MCULE-4399438587 [0,1,0,0,0,0|0,0,2]=3 54 B20R0.3034 CCCCCC=CCCCCCCCCCCC(=O)OC MCULE-7096013768 [0,1,0,0,0,0|0,0,2]=3 55 B20R0.3034 CCCCCCC=CC=CCCCCCCCC(=O)OC MCULE-9043062815 [0,1,0,0,0,0|0,0,2]=3 56 B20R0.3034 CCCCCCC=CCCCCCCCCCC(=O)OC MCULE-2695096983 [0,1,0,0,0,0|0,0,2]=3 57 B20R0.3037 CCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O MCULE-8113531498 [0,1,0,0,0,0|0,0,2]=3 58 B20R0.3037 CCCCCC=CCC=CCCCCCCC(O)C(=O)O MCULE-5221430707 [0,1,0,0,0,0|0,0,2]=3 59 B20R0.17440 C=C(C=CC=CCC=CCC)CCCCCCCC(=O)O MCULE-7236788987 [0,1,0,0,0,0|0,0,3]=4 60 B20R0.17440 CC/C=C\C/C=C\C=C\[C@H](O)CCCCCCCC(=O)O MCULE-8185125235 [0,1,0,0,0,0|0,0,2]=3 61 B20R0.17440 CCC=CCC=CC=C[C@@H](O)CCCCCCCC(=O)O MCULE-4069625070 [0,1,0,0,0,0|0,0,2]=3 62 B20R0.17440 CCC=CCC=CC=C[C@H](O)CCCCCCCC(=O)O MCULE-7693299239 [0,1,0,0,0,0|0,0,2]=3 63 B20R0.17440 CCCCC/C=C/C=C/C(O)CCCCCCCC(=O)O MCULE-6685866242 [0,1,0,0,0,0|0,0,0]=1 64 B20R0.17440 CCCCCC=CC=CC(=O)CCCCCCCC(=O)O MCULE-6695168369 [0,1,0,0,0,0|0,0,1]=2 65 B20R0.17440 CCCCCC=CC=CC(O)CCCCCCCC(=O)O MCULE-6670917423 [0,1,0,0,0,0|0,0,0]=1 66 B20R0.17440 CCCCCC=CC=C[C@@H](O)CCCCCCCC(=O)O MCULE-8439307769 [0,1,0,0,0,0|0,0,0]=1 67 B20R0.17440 CCCCCC=CC=C[C@H](O)CCCCCCCC(=O)O MCULE-6026148505 [0,1,0,0,0,0|0,0,0]=1 68 B20R0.31940 CCCCCCCC/C=C\CCCCCCCCC(=O)O MCULE-7761893081 [0,1,0,0,0,0|0,0,2]=3 69 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O MCULE-7486728155 [0,1,0,0,0,0|0,0,2]=3 70 B20R0.31968 CCCCC/C=C\C/C=C\C(O)CCCCCCC(=O)O MCULE-8147130899 [0,1,0,0,0,0|0,0,2]=3 71 B20R0.31968 CCCCCC/C=C\C=C\C(O)CCCCCCC(=O)O MCULE-2411705963 [0,1,0,0,0,0|0,0,2]=3 72 B20R0.31968 CCCCCC=CCC=CC(O)CCCCCCC(=O)O MCULE-2255729017 [0,1,0,0,0,0|0,0,2]=3 73 B20R0.32990 CCCCCC(=O)/C=C/C=C\CCCCCCCC(=O)O MCULE-1915937602 [0,1,0,0,0,0|0,0,1]=2 74 B20R0.32990 CCCCCC(=O)C=CC=CCCCCCCCC(=O)O MCULE-7056242351 [0,1,0,0,0,0|0,0,1]=2 75 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O MCULE-7351642049 [0,1,0,0,0,0|0,0,3]=4 76 B20R0.32990 CCCCCC(O)C=CC=CCCCCCCCC(=O)O MCULE-2851843624 [0,1,0,0,0,0|0,0,2]=3 77 B20R0.32990 CCCCC[C@@H](O)C=CC=CCCCCCCCC(=O)O MCULE-1362574554 [0,1,0,0,0,0|0,0,2]=3 78 B20R0.32990 CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O MCULE-7853168460 [0,1,0,0,0,0|0,0,2]=3 79 B20R0.32990 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)O MCULE-6317284446 [0,1,0,0,0,0|0,0,2]=3 80 B17R0.43 C(=C\CCCCCCCC(=O)O)\CCCCCC MCULE-4164601038 [2,0,0,0,0,0|0,0,1]=3 81 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O MCULE-1066074154 [2,0,0,0,0,0|0,0,1]=3 82 B17R0.43 CCCCCC/C=C/CCCCCCCC(=O)O MCULE-7392284639 [2,0,0,0,0,0|0,0,1]=3 83 B17R0.43 CCCCCCC=CCCCCCCCC(=O)Cl MCULE-6281700163 [2,0,0,0,0,0|1,0,1]=4 84 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N MCULE-8315425906 [2,0,0,0,0,0|1,0,1]=4 85 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O MCULE-1221038996 [2,0,0,0,0,0|0,0,1]=3 86 B17R0.43 CCCCCCC=CCCCCCCCC(=O)[O-] MCULE-3270578280 [2,0,0,0,0,0|0,0,2]=4 87 B17R0.43 CCCCCCCCCCCCCCCC(=O)O MCULE-1361949901 [2,0,0,0,0,0|0,0,2]=4 88 B19R0.59 CCCCCCCC(=O)CCCCCCCCC(=O)O MCULE-4196802493 [1,1,0,0,0,0|0,0,2]=4 89 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC MCULE-2350131012 [1,1,0,0,0,0|0,0,1]=3 90 B19R0.26289 CCCCCCC(=O)CCCCCCCCCC(=O)O MCULE-8472999265 [1,1,0,0,0,0|0,0,2]=4 91 B21R0.14440 C(=CCC=CCC(O)C(O)CC)CCCCCCCC(=O)O MCULE-4091016923 [0,2,0,0,0,0|0,0,2]=4 92 B21R0.14440 CCC(O)C(O)/C=C\C/C=C\CCCCCCCCC(=O)O MCULE-5414374977 [0,2,0,0,0,0|0,0,2]=4 93 B21R0.2907 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC MCULE-7544559322 [0,2,0,0,0,0|0,0,2]=4 94 B21R0.2907 CCCCC=CC=CC=CCCCCCCCC(=O)OCC MCULE-1569061893 [0,2,0,0,0,0|0,0,2]=4 95 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC MCULE-4304799829 [0,2,0,0,0,0|0,0,2]=4 96 B21R0.2929 CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)OC MCULE-1342906400 [0,2,0,0,0,0|0,0,1]=3 97 B21R0.23597 CCCCC[C@H](O)C=CC=CCCCCCCCC(=O)OC MCULE-3077334129 [0,2,0,0,0,0|0,0,2]=4 98 B21R0.36766 CCCCCCCCC=CCCCCCCCCC(=O)OC MCULE-7270276060 [0,2,0,0,0,0|0,0,2]=4 99 B21R0.31992 CCC=CCC=CC=C[C@H](CCCCCCCC(=O)O)OO MCULE-6537696455 [0,2,0,0,0,0|0,0,2]=4 100 B21R0.31992 CCCCCC=CC=CC(CCCCCCCC(=O)O)OO MCULE-1406992912 [0,2,0,0,0,0|0,0,0]=2 101 B21R0.31992 CCCCCC=CC=C[C@H](CCCCCCCC(=O)O)OO MCULE-4940929417 [0,2,0,0,0,0|0,0,0]=2 102 B21R0.9272 CCCCC/C=C\C/C=C\C(O)CC(O)CCCCC(=O)O MCULE-2410702763 [0,2,0,0,0,0|0,0,2]=4 103 B21R0.81 CCC=CCC=CCC=CCCCCCCCCCC(=O)O MCULE-3727829701 [0,2,0,0,0,0|0,0,2]=4 104 B21R0.81 CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O MCULE-9405390567 [0,2,0,0,0,0|0,0,0]=2 105 B21R0.81 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O MCULE-9285750550 [0,2,0,0,0,0|0,0,1]=3 106 B21R0.81 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O MCULE-1395973661 [0,2,0,0,0,0|0,0,0]=2 107 B21R0.81 CCCCCC/C=C\CCCCCCCCCCCC(=O)O MCULE-5077473579 [0,2,0,0,0,0|0,0,2]=4 108 B21R0.81 CCCCCC=CCC=CCC=CCCCCCCC(=O)O MCULE-2409906951 [0,2,0,0,0,0|0,0,1]=3 109 B21R0.81 CCCCCC=CCC=CCCCCC=CCCCC(=O)O MCULE-3559034612 [0,2,0,0,0,0|0,0,1]=3 110 B21R0.81 CCCCCC=CCC=CCCCCCCCCCC(=O)O MCULE-3918440694 [0,2,0,0,0,0|0,0,0]=2 111 B21R0.81 CCCCCC=CCCCCC=CCCCCCCC(=O)O MCULE-4531863767 [0,2,0,0,0,0|0,0,2]=4 112 B21R0.81 CCCCCC=CCCCCCCCC=CCCCC(=O)O MCULE-6282948904 [0,2,0,0,0,0|0,0,2]=4 113 B21R0.81 CCCCCC=CCCCCCCCCCCCCC(=O)O MCULE-3376654817 [0,2,0,0,0,0|0,0,2]=4 114 B21R0.81 CCCCCCC=CCCCCCCCCCCCC(=O)O MCULE-9376142288 [0,2,0,0,0,0|0,0,2]=4 115 B21R0.81 CCCCCCCC/C=C\CCCCCCCCCC(=O)O MCULE-1798812588 [0,2,0,0,0,0|0,0,2]=4 116 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O MCULE-5167912454 [0,2,0,0,0,0|0,0,2]=4 117 B21R0.19042 CCCCCC=CC(O)C=CC(O)CCCCCCC(=O)O MCULE-3013467012 [0,2,0,0,0,0|0,0,2]=4 118 B21R0.19042 CCCCCC=C[C@H](O)C=C[C@H](O)CCCCCCC(=O)O MCULE-3521034959 [0,2,0,0,0,0|0,0,2]=4 119 B21R0.36906 CCCCCC(C=CC=CCCCCCCCC(=O)O)OO MCULE-5569880418 [0,2,0,0,0,0|0,0,2]=4 120 B21R0.36906 CCCCC[C@@H](C=CC=CCCCCCCCC(=O)O)OO MCULE-5279806440 [0,2,0,0,0,0|0,0,2]=4 121 B21R1.76346 CCCCCC1=CC=C(O1)CCCCCCCCC(=O)O MCULE-7546640228 [0,1,0,1,0,0|0,0,0]=2