0 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)O S451312 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.32 C(CC(C)C)(NC(=O)C)C(=O)O S789054 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O S782904 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)O S786667 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O S783838 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.32 CC(=O)NC(CC(C)C)C(=O)N S782882 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.32 [C@@H](CC(C)C)(NC(=O)C)C(=O)N S776254 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.23 C#CCC(NC(=O)C)C(=O)O PH011747 [1,0,0,0,0,0|0,0,2]=3 8 B10R0.23 C=CCC(NC(=O)C)C(=O)O S802913 [1,0,0,0,0,0|0,0,2]=3 9 B10R0.23 CCC[C@@H](NC(=O)C)C(=O)O CDS000759 [1,0,0,0,0,0|0,0,0]=1 10 B10R0.23 COCC(CC(=O)O)C(=O)O S950092 [1,0,0,0,0,0|3,0,0]=4 11 B10R0.23 CSCC(NC(=O)C)C(=O)O S784133 [1,0,0,0,0,0|1,0,0]=2 12 B12R0.151 CC(C)CC(NC(=O)CCl)C(=O)O S343943 [0,1,0,0,0,0|0,0,0]=1 13 B12R0.151 CC(C)CC(NC(=O)CCl)C(=O)O S343951 [0,1,0,0,0,0|0,0,0]=1 14 B12R0.151 NCC(=O)NC(CC(=O)N)C(=O)O S788007 [0,1,0,0,0,0|2,0,1]=4 15 B12R0.151 O=C(O)CC(NC(=O)CCl)C(=O)O S787884 [0,1,0,0,0,0|2,0,1]=4 16 B12R0.151 [C@@H](CC(=O)O)(NC(=O)CCl)C(=O)O PH003723 [0,1,0,0,0,0|2,0,1]=4 17 B12R0.180 CC(=O)N[C@@H](CC(C)C)C(=O)NN PH008180 [0,1,0,0,0,0|1,0,0]=2 18 B12R0.180 CNC(=O)C(CC(C)C)NC(=O)C S790583 [0,1,0,0,0,0|1,0,0]=2 19 B12R0.180 COC(=O)C(CC(C)C)NC(=O)C S765813 [0,1,0,0,0,0|0,0,0]=1 20 B12R0.180 COC(=O)C(CC(C)C)NC(=O)C T257435 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.127 CC(C)C[C@@H]1NC(=O)CNC1=O CDS007198 [0,0,0,1,0,0|1,0,0]=2 22 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O CDS005435 [0,0,0,1,0,0|0,0,0]=1 23 B10R0.162 CC(=O)NC(C(=O)O)C(=O)O PH008302 [0,0,0,0,1,0|2,0,1]=4 24 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C S777277 [0,0,0,0,1,0|0,0,0]=1 25 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O S460184 [0,0,0,0,0,1|2,0,1]=4 26 B9R0.15 C=CCC(CCC)C(=O)O PH004878 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.39 CC(=O)NC(CO)C(=O)N S784052 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.39 CC(=O)NC(CO)C(=O)N S787175 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O CDS006442 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.39 [C@@H](CC)(NC(=O)C)C(=O)O S777684 [2,0,0,0,0,0|0,0,0]=2 31 B11R0.115 CCC(C)C(NC(=O)C)C(=O)N S784265 [1,1,0,0,0,0|1,0,0]=3 32 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O S783080 [1,1,0,0,0,0|0,0,0]=2 33 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O S783501 [1,1,0,0,0,0|0,0,0]=2 34 B11R0.160 CCCCC(CC(=O)C)C(=O)O PH007649 [1,1,0,0,0,0|1,0,0]=3 35 B11R0.160 CCCCC(CC(C)C)C(=O)O PH010197 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.160 CCCCC(NC(=O)C)C(=O)O S787078 [1,1,0,0,0,0|0,0,0]=2 37 B11R0.160 CCCCC(NC(=O)C)C(=O)O S787264 [1,1,0,0,0,0|0,0,0]=2 38 B11R0.160 CCCNC(CC(C)C)C(=O)O PH010416 [1,1,0,0,0,0|0,0,1]=3 39 B11R0.160 CSCCC(NC(=O)C)C(=O)N S776882 [1,1,0,0,0,0|1,0,0]=3 40 B11R0.160 CSCCC(NC(=O)N)C(=O)O CDS012418 [1,1,0,0,0,0|1,0,0]=3 41 B11R0.236 CCCC(NC(=O)CCl)C(=O)O S450839 [1,1,0,0,0,0|0,0,0]=2 42 B11R0.108 CC(C)C(NC(=O)CN)C(=O)O S462527 [0,1,0,0,1,0|0,0,0]=2 43 B13R0.613 [C@@H](C)(N)C(=O)N[C@@H](CC(C)C)C(=O)O S451207 [0,1,0,0,0,1|1,0,1]=4 44 B13R0.22 CC(C)CC(NC(=O)CCN)C(=O)O S451355 [0,2,0,0,0,0|0,0,0]=2 45 B11R1.178 CC(=O)N1CCCC1C(=O)N S776475 [1,0,0,1,0,0|1,0,0]=3 46 B11R1.178 CC(=O)N1CCCC1C(=O)O S777706 [1,0,0,1,0,0|0,0,0]=2 47 B11R1.178 CC(=O)N1CSCC1C(=O)O PH006928 [1,0,0,1,0,0|1,0,0]=3 48 B11R1.489 CC1(OC(=O)CC1C(=O)O)C S462535 [0,0,0,1,1,0|2,0,0]=4 49 B11R1.495 CC(=O)NN1C(=O)CCC1C PH007721 [0,0,0,1,1,0|2,0,0]=4 50 B13R1.165 CC1CCC(C(C1)C(=O)O)C(=O)O S447889 [0,0,0,1,0,1|2,0,0]=4 51 B13R1.1046 CC(=O)N1CS(=O)(=O)CC1C(=O)O PH009521 [0,1,0,1,0,0|2,0,0]=4 52 B9R0.33 C(=O)NC(C(=O)O)C(C)C S756725 [1,0,0,0,1,0|0,0,0]=2 53 B9R0.33 CCCC(C(=O)N)C(=O)N PH009402 [1,0,0,0,1,0|2,0,0]=4 54 B9R0.54 CC(C)C(C(=O)O)C(=O)O S567442 [0,0,0,0,2,0|1,0,0]=3 55 B13R0.443 CC(C)CCN[C@@H](CC(C)C)C(=O)O PH007964 [0,0,0,0,0,2|1,0,1]=4