0 B10R0.97 C(CCC(=O)O)CCC(=O)O PML [0,0,0,0,0,0|1,0,0]=1 1 B10R0.97 N=C(\N)/NCCCCC(=O)O GVA [0,0,0,0,0,0|4,0,0]=4 2 B9R0.2 C(CCCN)CCC(=O)O 011 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.2 CCCCCCCC(=O)O OCA [1,0,0,0,0,0|2,0,1]=4 4 B11R0.6 C(C[C@@H](CC(=O)O)O)CC(=O)O HHD [0,1,0,0,0,0|1,0,0]=2 5 B11R0.29 C(CCC(=O)O)CC(=O)C(=O)O 6GT [0,1,0,0,0,0|1,0,1]=3 6 B11R0.29 C(CCC(=O)O)C[C@@H](C(=O)O)N NPI [0,1,0,0,0,0|1,0,0]=2 7 B11R0.29 C(CCC(=O)O)C[C@H](C(=O)O)N P0A [0,1,0,0,0,0|1,0,0]=2 8 B11R0.29 C(CCC(O)O)C[C@@H](C(=O)O)N DHH [0,1,0,0,0,0|1,0,2]=4 9 B11R0.29 C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N 6HN [0,1,0,0,0,0|2,0,1]=4 10 B11R0.29 C(C[C@@H](C(=O)O)N)CNC(=O)N CIR [0,1,0,0,0,0|3,0,0]=4 11 B11R0.29 CC(=O)NCCC[C@@H](C(=O)O)N ORQ [0,1,0,0,0,0|3,0,0]=4 12 B11R0.29 CC(=O)NCSC[C@@H](C(=O)O)N CY1 [0,1,0,0,0,0|2,0,0]=3 13 B11R0.29 CN(C)CCSC[C@@H](C(=O)O)N M2L [0,1,0,0,0,0|3,0,0]=4 14 B11R1.157 C1C[C@@H](CC(=O)C1)CC(=O)O KTA [0,0,0,1,0,0|2,0,0]=3 15 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O N8P [0,0,0,1,0,0|3,0,0]=4 16 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O N7P [0,0,0,1,0,0|3,0,0]=4 17 B9R0.55 C(CCC(=O)O)CC(=O)O 0L1 [0,0,0,0,1,0|0,0,0]=1 18 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,1,0|2,0,1]=4 19 B9R0.55 N=C(/N)\NCCCC(=O)O ALG [0,0,0,0,1,0|3,0,0]=4 20 B11R0.30 C(CCCC(=O)O)CCC(=O)O OCE [0,0,0,0,0,1|1,0,0]=2 21 B11R0.30 N=C(/N)\NCCCCCC(=O)O GHS [0,0,0,0,0,1|3,0,0]=4 22 B8R0.7 C(CCC(=O)O)CCN ACA [2,0,0,0,0,0|1,0,1]=4 23 B8R0.7 C(CCC(=O)O)CCN AHA [2,0,0,0,0,0|1,0,1]=4 24 B8R0.7 C(CNCC(=O)O)C=O CL5 [2,0,0,0,0,0|1,0,0]=3 25 B8R0.7 CCCCCCC(=O)O SHV [2,0,0,0,0,0|1,0,1]=4 26 B10R0.75 C(CO)COC[C@@H](C(=O)O)N SRZ [1,1,0,0,0,0|0,1,1]=4 27 B10R0.75 C(CSSC[C@@H](C(=O)O)N)O CME [1,1,0,0,0,0|1,0,1]=4 28 B10R0.75 C=CCCCC[C@@H](C(=O)O)N 1X0 [1,1,0,0,0,0|2,0,0]=4 29 B10R0.75 C=CCSSC[C@@H](C(=O)O)N C1S [1,1,0,0,0,0|2,0,0]=4 30 B10R0.15 CC(=O)CSCCS(=O)(=O)O KPC [0,1,0,0,1,0|2,0,0]=4 31 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N B3Q [0,1,0,0,1,0|1,0,0]=3 32 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N B3E [0,1,0,0,1,0|0,0,0]=2 33 B10R0.96 CC(=O)CC(=O)CCC(=O)O SHU [0,1,0,0,1,0|1,0,1]=4 34 B10R0.98 C(C(=O)C(=O)O)SCC(=O)O XYN [0,1,0,0,1,0|0,0,1]=3 35 B10R0.98 C(C(=O)O)S\C=C(\C(=O)O)/O XYM [0,1,0,0,1,0|0,0,2]=4 36 B10R0.98 C(CC(=O)C(=O)O)CC(=O)O OOG [0,1,0,0,1,0|0,0,1]=3 37 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O UN1 [0,1,0,0,1,0|0,0,0]=2 38 B10R0.98 C(C[C@H](C(=O)O)N)CC(=O)O 11C [0,1,0,0,1,0|0,0,0]=2 39 B10R0.98 C([C@@H](C(=O)N)N)SCC(=O)O 48V [0,1,0,0,1,0|1,0,0]=3 40 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)N YCM [0,1,0,0,1,0|1,0,0]=3 41 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O CAY [0,1,0,0,1,0|0,0,0]=2 42 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O CCS [0,1,0,0,1,0|0,0,0]=2 43 B10R0.98 C([C@@H](C(=O)O)N)[Se]CC(=O)N SYS [0,1,0,0,1,0|1,1,0]=4 44 B10R0.98 C([C@H](C(=O)N)N)SCC(=O)O AEA [0,1,0,0,1,0|1,0,0]=3 45 B10R0.98 CC(=O)CSC[C@@H](C(=O)O)N CSA [0,1,0,0,1,0|1,0,0]=3 46 B12R0.42 C(CCNC(=O)O)C[C@@H](C(=O)O)N KCX [0,1,0,0,0,1|1,0,0]=3 47 B12R0.42 CC(=O)NCCCC[C@@H](C(=O)O)N ALY [0,1,0,0,0,1|2,0,0]=4 48 B12R0.687 C([C@@H](C(=O)O)N)SC(=O)CC(=O)O MCS [0,2,0,0,0,0|0,0,1]=3 49 B12R0.139 C(CC(=O)O)[C@H](CC(=O)C(=O)O)O E8U [0,2,0,0,0,0|1,0,1]=4 50 B12R0.139 C([C@@H](C(=O)O)N)C(=O)OCC(=O)O ASB [0,2,0,0,0,0|2,0,0]=4 51 B12R0.186 COC(=O)CCCC[C@@H](C(=O)O)N 1TX [0,2,0,0,0,0|1,0,0]=3 52 B12R0.264 C(CS(=O)(=O)N)SC[C@@H](C(=O)O)N SDC [0,2,0,0,0,0|1,0,1]=4 53 B12R0.264 [B-](CCSC[C@@H](C(=O)O)N)(O)(O)O S2C [0,2,0,0,0,0|1,0,1]=4 54 B12R0.627 C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O 26P [0,2,0,0,0,0|1,0,1]=4 55 B12R0.627 C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N API [0,2,0,0,0,0|1,0,0]=3 56 B12R0.627 C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N 6CL [0,2,0,0,0,0|1,0,0]=3 57 B12R0.627 C=C(CCC[C@@H](C(=O)O)N)C(=O)O 2NP [0,2,0,0,0,0|1,0,1]=4 58 B10R1.39 C1C[C@H](N(C1)C=O)C(=O)O FPK [1,0,0,1,0,0|2,0,0]=4 59 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O MUC [0,0,0,1,1,0|0,0,2]=4 60 B10R1.113 C1CN[C@@H](CC1=O)C(=O)O MHV [0,0,0,1,1,0|2,0,0]=4 61 B10R1.113 C1C[C@H](CC(=O)C1)C(=O)O 3OC [0,0,0,1,1,0|1,0,0]=3 62 B12R1.261 C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O 4FU [0,0,0,1,0,1|1,0,0]=3 63 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)O APP [0,0,0,1,0,1|2,0,0]=4 64 B12R1.389 C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O SSC [0,1,0,1,0,0|1,0,0]=3 65 B12R1.1382 C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O G8M [0,1,0,1,0,0|1,0,0]=3 66 B12R2.2456 C1C[C@H](N2[C@@H]1CC2=O)C(=O)O 2TQ [0,0,0,2,0,0|2,0,0]=4 67 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,0,0,0,2,0|0,1,0]=3 68 B8R0.28 C(C(=O)O)SCC(=O)O 9X6 [0,0,0,0,2,0|0,0,0]=2 69 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,0,0,0,2,0|0,0,0]=2 70 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [0,0,0,0,2,0|1,0,1]=4 71 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,0,0,0,2,0|2,0,0]=4 72 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,0,0,0,2,0|0,0,2]=4 73 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,2,0|1,0,0]=3 74 B12R0.268 C(CCCC(=O)O)CCCC(=O)O AZ1 [0,0,0,0,0,2|1,0,0]=3 75 B12R0.268 CC(=O)CCCCC/C=C\C(=O)O 9OD [0,0,0,0,0,2|2,0,0]=4