0 B11R0.148 CCCCCCCCCC(=O)C UOC [0,0,0,0,0,0|0,0,0]=0 1 B11R0.148 CCCCCCCCCC(=O)O CRC [0,0,0,0,0,0|1,0,0]=1 2 B11R0.148 CCCCCCCCCC(=O)O DKA [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 C(CCCC(=O)O)CCCN 8AC [1,0,0,0,0,0|2,0,0]=3 4 B10R0.4 C(CCCNC(=O)O)CCN CMY [1,0,0,0,0,0|3,0,0]=4 5 B10R0.4 CCCCCCCCC(=O)O KNA [1,0,0,0,0,0|1,0,0]=2 6 B10R0.4 CCCCCCCC[N+](=O)[O-] N8C [1,0,0,0,0,0|2,0,0]=3 7 B10R0.71 CCCCCCCCCCC UND [1,0,0,0,0,0|0,0,1]=2 8 B10R0.71 CCCCCCCCCCO DE1 [1,0,0,0,0,0|0,0,2]=3 9 B10R0.71 CCCCCCCCCCS D1T [1,0,0,0,0,0|0,1,1]=3 10 B10R0.71 CCCCCNCCCCC DIP [1,0,0,0,0,0|1,0,1]=3 11 B12R0.4 CCCCCCC[C@@H](CC(=O)O)O 5UF [0,1,0,0,0,0|1,0,0]=2 12 B12R0.119 CCCCCCCCOS(=O)(=O)N BOW [0,1,0,0,0,0|3,0,0]=4 13 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] OSF [0,1,0,0,0,0|3,0,0]=4 14 B12R0.234 CC(=O)NCCCCNCCCN Q9C [0,1,0,0,0,0|2,0,0]=3 15 B12R0.234 CCCCCCCCCCC(=O)O 11A [0,1,0,0,0,0|1,0,0]=2 16 B12R0.251 C(CCC[C@@H](C(=O)O)N)CCCN 1E3 [0,1,0,0,0,0|2,0,0]=3 17 B12R0.251 CCCCCCSC[C@@H](C(=O)O)N SHC [0,1,0,0,0,0|2,0,0]=3 18 B12R0.251 CCCCCSSC[C@@H](C(=O)O)N PEC [0,1,0,0,0,0|3,0,0]=4 19 B12R0.268 C(CCCC(=O)O)CCCC(=O)O AZ1 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.255 C1CSS[C@@H]1CCCCC(=O)O LPA [0,0,0,1,0,0|3,0,0]=4 21 B12R1.255 C1CSS[C@H]1CCCCC(=O)O LPB [0,0,0,1,0,0|3,0,0]=4 22 B12R1.1343 C1CCCC(CC1)NCC(=O)O CGH [0,0,0,1,0,0|2,0,0]=3 23 B9R0.2 C(CCCN)CCC(=O)O 011 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.2 CCCCCCCC(=O)O OCA [2,0,0,0,0,0|1,0,0]=3 25 B9R0.45 C(CCCCN)CCCN DIA [2,0,0,0,0,0|2,0,0]=4 26 B9R0.45 C(CCCCO)CCCO ODI [2,0,0,0,0,0|1,0,1]=4 27 B9R0.45 CCCCCCCCCC D10 [2,0,0,0,0,0|0,0,0]=2 28 B9R0.45 CCCCCCCCCO F09 [2,0,0,0,0,0|0,0,1]=3 29 B9R0.45 CCCCCCCNC=O HPL [2,0,0,0,0,0|1,0,0]=3 30 B9R0.45 CCCCCONCC=O AOP [2,0,0,0,0,0|2,0,0]=4 31 B11R0.30 CC(C)CCCCCCC(=O)O T55 [1,1,0,0,0,0|1,0,0]=3 32 B11R0.40 CCCCCCCCC(=O)OC NON [1,1,0,0,0,0|0,0,0]=2 33 B11R0.42 C(CCCN)CC[C@@H](C(=O)O)N HHK [1,1,0,0,0,0|2,0,0]=4 34 B11R0.42 CCCCCCC[C@@H](C(=O)O)N AN8 [1,1,0,0,0,0|1,0,0]=3 35 B11R0.42 CCNCCCC[C@@H](C(=O)O)N LDH [1,1,0,0,0,0|2,0,0]=4 36 B11R0.176 C(CCC(=O)N)C[C@H](CCS)S LPM [1,1,0,0,0,0|2,0,0]=4 37 B11R0.176 C(CCC(=O)O)C[C@H](CCS)S RED [1,1,0,0,0,0|2,0,0]=4 38 B11R0.3 C(CCCCO)CCCNCO HHO [1,1,0,0,0,0|2,0,0]=4 39 B11R0.3 CCCCCCCCCCC=O UNA [1,1,0,0,0,0|0,0,0]=2 40 B11R0.3 CCCCCCCCCCCC D12 [1,1,0,0,0,0|0,0,1]=3 41 B13R0.335 C[C@@H](CCNCCCCN)NC(=O)C SP7 [0,2,0,0,0,0|2,0,0]=4 42 B13R0.337 CCCCCCC[C@H]([C@@H](C(=O)O)O)N AHY [0,2,0,0,0,0|1,0,0]=3 43 B13R0.280 CCCCCCCCCCP(=O)(C)C DCX [0,2,0,0,0,0|1,0,0]=3 44 B13R0.280 CCCCCCCCCCS(=O)(=O)O 1DB [0,2,0,0,0,0|2,0,0]=4 45 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] DDQ [0,2,0,0,0,0|1,0,1]=4 46 B13R0.54 C(CCCCCS)CCCCC(=O)O MDX [0,2,0,0,0,0|1,0,0]=3 47 B13R0.54 CC(=O)CCCCCCCCCC=C 2TD [0,2,0,0,0,0|0,0,0]=2 48 B13R0.54 CCCCCCCCCCCC(=O)O DAO [0,2,0,0,0,0|1,0,0]=3 49 B13R0.54 CCCCCCCCCCCC(=O)O LAU [0,2,0,0,0,0|1,0,0]=3 50 B13R0.54 CCCCCCCCCCOC(=O)S UDT [0,2,0,0,0,0|1,0,0]=3 51 B13R0.54 CCCCCCCCC\C=C\C(=O)O 3X1 [0,2,0,0,0,0|1,0,0]=3 52 B13R0.147 C(CCC(=O)NO)CCNCCCN XS6 [0,2,0,0,0,0|2,0,0]=4 53 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O DEC [0,2,0,0,0,0|1,0,1]=4 54 B13R0.179 CC(=O)NCCCCCCNC(=O)C 5D4 [0,2,0,0,0,0|1,0,1]=4 55 B13R0.179 CC(C)CCCCCCCCC(=O)O M12 [0,2,0,0,0,0|1,0,0]=3 56 B13R0.91 CCCN(C)CCCCC(C(=O)O)N LYP [0,2,0,0,0,0|2,0,0]=4 57 B11R1.91 C1CCC(CC1)CCC(=O)O CXP [1,0,0,1,0,0|1,0,0]=3 58 B11R1.91 C1CCC(CC1)NCC(=O)O M30 [1,0,0,1,0,0|2,0,0]=4 59 B11R1.91 C1CCC(CC1)OCC(=O)O 01Z [1,0,0,1,0,0|2,0,0]=4 60 B11R1.91 C1CNCCC1CCC(=O)O BV7 [1,0,0,1,0,0|2,0,0]=4 61 B11R1.28 C1CNCCC1CCCC=O C1R [1,0,0,1,0,0|1,0,0]=3 62 B13R1.1022 C1CCCC(CCC1)NCC(=O)O CNG [0,1,0,1,0,0|1,0,0]=3 63 B13R2.435 C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O OIC [0,0,0,2,0,0|2,0,0]=4 64 B13R2.435 C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O Q42 [0,0,0,2,0,0|2,0,0]=4