0 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O S460184 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O S463914 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O S468819 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.160 CCCCC(CC(=O)C)C(=O)O PH007649 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.160 CCCCC(NC(=O)C)C(=O)O S787078 [1,0,0,0,0,0|1,0,1]=3 5 B11R0.160 CCCCC(NC(=O)C)C(=O)O S787264 [1,0,0,0,0,0|1,0,1]=3 6 B11R0.160 CSCCC(NC(=O)C)C(=O)N S776882 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.160 CSCCC(NC(=O)N)C(=O)O CDS012418 [1,0,0,0,0,0|3,0,0]=4 8 B11R0.28 CN(C)C(CCC(=O)O)C(=O)O PH009017 [0,0,0,0,1,0|3,0,0]=4 9 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)O S451312 [0,0,0,0,1,0|2,0,1]=4 10 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)O S789054 [0,0,0,0,1,0|2,0,1]=4 11 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O S782904 [0,0,0,0,1,0|0,0,0]=1 12 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O S786667 [0,0,0,0,1,0|0,0,0]=1 13 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O S783838 [0,0,0,0,1,0|1,0,0]=2 14 B13R0.53 O=C(O)CCC(CCC(=O)O)C(=O)O PH011252 [0,0,0,0,0,1|3,0,0]=4 15 B13R0.443 O=C(O)CCNC(CC(=O)O)C(=O)O S108812 [0,0,0,0,0,1|3,0,0]=4 16 B10R0.88 C(=O)NC(CCSC)C(=O)O S601047 [2,0,0,0,0,0|2,0,0]=4 17 B10R0.23 C#CCC(NC(=O)C)C(=O)O PH011747 [2,0,0,0,0,0|0,0,2]=4 18 B10R0.23 C=CCC(NC(=O)C)C(=O)O S802913 [2,0,0,0,0,0|0,0,1]=3 19 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O CDS000759 [2,0,0,0,0,0|0,0,1]=3 20 B10R0.23 CSCC(NC(=O)C)C(=O)O S784133 [2,0,0,0,0,0|1,0,1]=4 21 B12R0.120 CC(=O)NC(CCCCN)C(=O)O S782645 [1,1,0,0,0,0|0,0,1]=3 22 B12R0.120 CCSCCC(NC(=O)C)C(=O)O S783757 [1,1,0,0,0,0|1,0,1]=4 23 B12R0.120 CCSCCC(NC(=O)C)C(=O)O S784249 [1,1,0,0,0,0|1,0,1]=4 24 B12R0.120 CCSCCC(NC(=O)C)C(=O)O S786640 [1,1,0,0,0,0|1,0,1]=4 25 B12R0.129 CCCCC(NC(=O)CCl)C(=O)O PH011244 [1,1,0,0,0,0|1,0,1]=4 26 B12R0.129 CCCCC(NC(=O)CN)C(=O)O S785113 [1,1,0,0,0,0|1,0,1]=4 27 B12R0.129 [C@@H](CCSC)(NC(=O)CN)C(=O)O T308226 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O CDS005435 [1,0,0,1,0,0|1,0,1]=4 29 B12R1.127 O=C(O)C[C@@H]1NC(=O)CNC1=O CDS007050 [0,0,0,1,1,0|2,0,0]=4 30 B10R0.162 NC(=O)NC(C(=O)O)C(=O)O PH008448 [0,0,0,0,2,0|2,0,0]=4 31 B14R0.2681 CC(=O)NC(CCCNC(=N)N)C(=O)O S783528 [0,0,0,0,0,2|1,0,0]=3 32 B14R0.2681 [C@@H](CCCNC(=N)N)(NC(=O)C)C(=O)O S451029 [0,0,0,0,0,2|1,0,0]=3