0 B10R0.4 C(CCCC(=O)O)CCCN 8AC [0,0,0,0,0,0|1,0,0]=1 1 B10R0.4 C(CCCNC(=O)O)CCN CMY [0,0,0,0,0,0|2,0,0]=2 2 B10R0.4 C(COCCOCC(=O)O)O TEG [0,0,0,0,0,0|3,0,0]=3 3 B10R0.4 CCCCCCCCC(=O)O KNA [0,0,0,0,0,0|0,0,0]=0 4 B10R0.4 CCCCCCCC[N+](=O)[O-] N8C [0,0,0,0,0,0|1,0,1]=2 5 B9R0.2 C(CCCN)CCC(=O)O 011 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.2 C(CCNCC(=O)O)CN NLY [1,0,0,0,0,0|2,0,0]=3 7 B9R0.2 CCCCCCCC(=O)O OCA [1,0,0,0,0,0|0,0,0]=1 8 B9R0.45 C(CCCCN)CCCN DIA [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 C(CCCCO)CCCO ODI [1,0,0,0,0,0|1,0,1]=3 10 B9R0.45 CCCCCCCCCC D10 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.45 CCCCCCCCCO F09 [1,0,0,0,0,0|0,0,1]=2 12 B9R0.45 CCCCCCCNC=O HPL [1,0,0,0,0,0|1,0,0]=2 13 B9R0.45 CCCCCONCC=O AOP [1,0,0,0,0,0|2,0,0]=3 14 B11R0.2 CSCCC=C[C@H](CC(=O)O)O 1KC [0,1,0,0,0,0|1,0,2]=4 15 B11R0.30 C(CCCC(=O)O)CCC(=O)O OCE [0,1,0,0,0,0|1,0,1]=3 16 B11R0.30 CC(C)CCCCCCC(=O)O T55 [0,1,0,0,0,0|0,0,0]=1 17 B11R0.30 N=C(/N)\NCCCCCC(=O)O GHS [0,1,0,0,0,0|2,0,1]=4 18 B11R0.40 CCCCCCCCC(=O)OC NON [0,1,0,0,0,0|0,0,0]=1 19 B11R0.42 C(CCCN)CC[C@@H](C(=O)O)N HHK [0,1,0,0,0,0|1,0,0]=2 20 B11R0.42 C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N NOT [0,1,0,0,0,0|3,0,0]=4 21 B11R0.42 CCCCCCC[C@@H](C(=O)O)N AN8 [0,1,0,0,0,0|0,0,0]=1 22 B11R0.42 CCCCSSC[C@@H](C(=O)O)N BUC [0,1,0,0,0,0|2,0,0]=3 23 B11R0.42 CCNCCCC[C@@H](C(=O)O)N LDH [0,1,0,0,0,0|1,0,0]=2 24 B11R0.111 C(CCNC(=O)O)C[C@@H](CO)N LCX [0,1,0,0,0,0|2,0,0]=3 25 B11R0.148 CCCCCCCCCC(=O)C UOC [0,1,0,0,0,0|1,0,0]=2 26 B11R0.148 CCCCCCCCCC(=O)O CRC [0,1,0,0,0,0|0,0,0]=1 27 B11R0.148 CCCCCCCCCC(=O)O DKA [0,1,0,0,0,0|0,0,0]=1 28 B11R0.159 C(CCCOP(=O)(O)O)CCN N68 [0,1,0,0,0,0|3,0,0]=4 29 B11R0.159 [B-](CCCCCCCC)(O)(O)O 3QK [0,1,0,0,0,0|1,0,1]=3 30 B11R0.176 C(CCC(=O)N)C[C@H](CCS)S LPM [0,1,0,0,0,0|2,0,0]=3 31 B11R0.176 C(CCC(=O)O)C[C@H](CCS)S RED [0,1,0,0,0,0|1,0,0]=2 32 B11R1.27 CCCCC[C@@H]1CC[C@H](O1)O HNB [0,0,0,1,0,0|0,0,2]=3 33 B11R1.27 CCCCC[C@H]1CC[C@@H](O1)O 2LE [0,0,0,1,0,0|0,0,2]=3 34 B11R1.91 C1CCC(CC1)CCC(=O)O CXP [0,0,0,1,0,0|0,0,0]=1 35 B11R1.91 C1CCC(CC1)NCC(=O)O M30 [0,0,0,1,0,0|1,0,0]=2 36 B11R1.91 C1CCC(CC1)OCC(=O)O 01Z [0,0,0,1,0,0|1,0,0]=2 37 B11R1.91 C1CNCCC1CCC(=O)O BV7 [0,0,0,1,0,0|1,0,0]=2 38 B8R0.4 CCCCCCCC=O OYA [2,0,0,0,0,0|0,0,0]=2 39 B8R0.4 CCCCCCCCC DD9 [2,0,0,0,0,0|0,0,1]=3 40 B8R0.4 CCCCCCCCO OC9 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.4 CCOCCOCCO AE3 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.7 C(CCC(=O)O)CCN ACA [2,0,0,0,0,0|1,0,0]=3 43 B8R0.7 C(CCC(=O)O)CCN AHA [2,0,0,0,0,0|1,0,0]=3 44 B8R0.7 CCCCCCC(=O)N HPN [2,0,0,0,0,0|1,0,0]=3 45 B8R0.7 CCCCCCC(=O)O SHV [2,0,0,0,0,0|0,0,0]=2 46 B8R0.7 CCCCCC[N+](=O)[O-] N6C [2,0,0,0,0,0|1,0,1]=4 47 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N B3K [1,1,0,0,0,0|1,0,0]=3 48 B10R0.6 CCCCCC(=O)CC(=O)O OOA [1,1,0,0,0,0|0,0,1]=3 49 B10R0.6 CCCCC[C@@H](CC(=O)O)O 3HO [1,1,0,0,0,0|0,0,0]=2 50 B10R0.55 CC[C@H](C)CCCCC(=O)O 6FH [1,1,0,0,0,0|0,0,0]=2 51 B10R0.74 C(CCCN)CCC(=O)NO 7XA [1,1,0,0,0,0|1,0,0]=3 52 B10R0.75 C(CO)COC[C@@H](C(=O)O)N SRZ [1,1,0,0,0,0|2,0,0]=4 53 B10R0.75 C(COCCN)[C@@H](C(=O)O)N AVG [1,1,0,0,0,0|2,0,0]=4 54 B10R0.75 C=CCCCC[C@@H](C(=O)O)N 1X0 [1,1,0,0,0,0|0,0,2]=4 55 B10R0.75 CCCCCC[C@@H](C(=O)O)O HOC [1,1,0,0,0,0|0,0,0]=2 56 B10R0.75 CCCCOC[C@@H](C(=O)O)N 73C [1,1,0,0,0,0|1,0,0]=3 57 B10R0.75 CNCCCC[C@@H](C(=O)O)N MLZ [1,1,0,0,0,0|1,0,0]=3 58 B10R0.97 C(CCC(=O)O)CCC(=O)O PML [1,1,0,0,0,0|1,0,1]=4 59 B10R0.1 CCCCCC[C@@H](C)NC=O FXY [1,1,0,0,0,0|1,0,0]=3 60 B10R0.71 CCCCCCCCCCC UND [1,1,0,0,0,0|1,0,1]=4 61 B10R0.71 CCCCCCCCCCO DE1 [1,1,0,0,0,0|0,0,1]=3 62 B10R0.71 CCCCCCCCCCS D1T [1,1,0,0,0,0|0,1,1]=4 63 B10R0.71 CCCCCNCCCCC DIP [1,1,0,0,0,0|1,0,1]=4 64 B10R0.91 CCCCC[C@@H](CCCO)O HND [1,1,0,0,0,0|0,0,1]=3 65 B10R0.91 CCCCC[C@H](C=CC=O)O HNE [1,1,0,0,0,0|0,0,2]=4 66 B12R0.4 CCCCCCC[C@@H](CC(=O)O)O 5UF [0,2,0,0,0,0|0,0,0]=2 67 B12R0.42 CC(=O)NCCCC[C@@H](C(=O)O)N ALY [0,2,0,0,0,0|1,0,1]=4 68 B12R0.42 CC(=S)NCCCC[C@@H](C(=O)O)N TLY [0,2,0,0,0,0|1,0,1]=4 69 B12R0.42 CC(C)NCCCC[C@@H](C(=O)O)N ILY [0,2,0,0,0,0|1,0,0]=3 70 B12R0.42 C[C@@H](C(=O)CCCCCC(=O)O)N KAP [0,2,0,0,0,0|0,0,1]=3 71 B12R0.42 C[C@@H]([C@@H](CCCCCC(=O)O)N)N DNN [0,2,0,0,0,0|0,0,0]=2 72 B12R0.42 N=C(\C)/NCCCC[C@@H](C(=O)O)N IEL [0,2,0,0,0,0|1,0,1]=4 73 B12R0.1 CCCCCCCC[S@@](=O)CCO OES [0,2,0,0,0,0|1,0,0]=3 74 B12R0.251 C(CCC[C@@H](C(=O)O)N)CCCN 1E3 [0,2,0,0,0,0|0,0,0]=2 75 B12R0.251 CCCCCCSC[C@@H](C(=O)O)N SHC [0,2,0,0,0,0|0,0,0]=2 76 B12R0.251 CCCCCSSC[C@@H](C(=O)O)N PEC [0,2,0,0,0,0|1,0,0]=3 77 B12R0.58 CCCCCCC[C@](C)(C(=O)O)N 0EH [0,2,0,0,0,0|0,0,0]=2 78 B12R0.58 C[C@@](CCCCCCN)(C(=O)O)N 0XQ [0,2,0,0,0,0|1,0,0]=3 79 B12R0.186 COC(=O)CCCC[C@@H](C(=O)O)N 1TX [0,2,0,0,0,0|1,0,1]=4 80 B12R0.186 N=C(\CC)/NCCC[C@@H](C(=O)O)N LN5 [0,2,0,0,0,0|1,0,1]=4 81 B12R0.119 CCCCCCCCOS(=O)(=O)N BOW [0,2,0,0,0,0|1,0,1]=4 82 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] OSF [0,2,0,0,0,0|1,0,1]=4 83 B12R0.234 CC(=O)NCCCCNCCCN Q9C [0,2,0,0,0,0|2,0,0]=4 84 B12R0.234 CCCCCCCCCCC(=O)O 11A [0,2,0,0,0,0|0,0,0]=2 85 B12R0.268 C(CCCC(=O)O)CCCC(=O)O AZ1 [0,2,0,0,0,0|0,0,1]=3 86 B12R0.268 CC(=O)CCCCC/C=C\C(=O)O 9OD [0,2,0,0,0,0|0,0,2]=4 87 B10R1.16 CCCC[C@H]1CC[S@](=O)C1 SSB [1,0,0,1,0,0|2,0,0]=4 88 B10R1.18 C1CCC(CC1)NC(=O)O OHO [1,0,0,1,0,0|1,0,0]=3 89 B10R1.18 C1COCCN1CC(=O)O 00E [1,0,0,1,0,0|2,0,0]=4 90 B10R1.66 C1CCC(C1)CCC(=O)O 3PA [1,0,0,1,0,0|0,0,0]=2 91 B10R1.66 C1CCC(C1)NCC(=O)O 021 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.66 C1CCC(C1)OCC(=O)O 01Y [1,0,0,1,0,0|1,0,0]=3 93 B10R1.17 CCCC[C@@H]1CCCNC1 DIY [1,0,0,1,0,0|2,0,0]=4 94 B10R1.21 CNCCCC1CCCC1 DIX [1,0,0,1,0,0|2,0,0]=4 95 B12R1.261 C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O 4FU [0,1,0,1,0,0|1,0,1]=4 96 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)O APP [0,1,0,1,0,0|1,0,1]=4 97 B12R1.392 CC(C)O[C@H]1CCN[C@@H]1C(=O)O 3PX [0,1,0,1,0,0|2,0,0]=4 98 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N ALC [0,1,0,1,0,0|0,0,0]=2 99 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N HAC [0,1,0,1,0,0|0,0,0]=2 100 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)O 4WC [0,1,0,1,0,0|0,0,0]=2 101 B12R1.43 C1CCC(CC1)C[C@H](C(=O)O)N ZAL [0,1,0,1,0,0|0,0,0]=2 102 B12R1.1397 C1[C@H](O1)CCCC[C@@H](C(=O)O)N EXY [0,1,0,1,0,0|1,0,0]=3 103 B12R1.1343 C1CCCC(CC1)NCC(=O)O CGH [0,1,0,1,0,0|0,0,0]=2 104 B12R1.1809 C[N+]1(CCCC1)CCCC(=O)O IVL [0,1,0,1,0,0|1,0,0]=3 105 B12R1.255 C1CSS[C@@H]1CCCCC(=O)O LPA [0,1,0,1,0,0|1,0,0]=3 106 B12R1.255 C1CSS[C@H]1CCCCC(=O)O LPB [0,1,0,1,0,0|1,0,0]=3 107 B12R2.1362 C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O 037 [0,0,0,2,0,0|1,0,0]=3 108 B12R2.252 C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O XBG [0,0,0,2,0,0|1,0,0]=3