0 B11R0.160 CCCCC(NC(C)=O)C(=O)O 4158-1-92 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.160 CCCC[C@@H](NC(C)=O)C(=O)O 4158-1-RX [0,0,0,0,0,0|1,0,0]=1 2 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O 4158-1-SX [0,0,0,0,0,0|1,0,0]=1 3 B11R0.160 CSCCC(NC(=N)N)C(=O)O 8166-1-05 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O 4258-1-RB [1,0,0,0,0,0|0,0,0]=1 5 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O 4158-1-SB [1,0,0,0,0,0|0,0,0]=1 6 B10R0.23 [C@H](CCC)(NC(C)=O)C(=O)O 4158-1-16 [1,0,0,0,0,0|0,0,0]=1 7 B10R0.88 CCCC[C@H](NC=O)C(=O)O 4H58-1-S0M [1,0,0,0,0,0|1,0,0]=2 8 B12R0.129 [C@@H](CCCC)(NC(=O)CCl)C(=O)O 4158-5-33 [0,1,0,0,0,0|1,0,0]=2 9 B12R0.129 [C@@H](CCSC)(NC(=O)CCl)C(=O)O 8166-5-02 [0,1,0,0,0,0|0,0,0]=1 10 B12R0.247 CCCC[C@H](CC(=O)O)C(=O)OC 2123-1-17 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.261 CC(=O)N1CCCCC1C(=O)O 4H21-1-FH [0,0,0,1,0,0|1,0,0]=2 12 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O 2221-1-50 [0,0,0,1,0,0|3,0,0]=4 13 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O 2221-1-0E [0,0,0,1,0,0|3,0,0]=4 14 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O 4258-1-RC [0,0,0,1,0,0|1,0,0]=2 15 B10R0.17 CCCCC(C(C)=O)C(C)=O 2118-1-0B [0,0,0,0,1,0|2,0,0]=3 16 B9R0.39 CC(=O)NC(CO)C(=O)O 4158-1-Y2 [2,0,0,0,0,0|0,1,0]=3 17 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [2,0,0,0,0,0|2,0,0]=4 18 B9R0.13 CCCCC(CC)C(=O)O 2121-1-27 [2,0,0,0,0,0|1,0,1]=4 19 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O 4158-1-RN [1,1,0,0,0,0|0,0,0]=2 20 B11R0.115 CC[C@H](C)[C@@H](NC(C)=O)C(=O)O 4158-1-0U [1,1,0,0,0,0|0,0,0]=2 21 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O 4158-1-44 [1,1,0,0,0,0|0,0,0]=2 22 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O 4158-5-35 [1,1,0,0,0,0|0,0,0]=2 23 B13R0.146 COC(=O)[C@H](CCCCN)NC(C)=O 4158-5-S00 [0,2,0,0,0,0|1,0,0]=3 24 B13R0.159 CCOC(=O)C(CCSC)NC(C)=O 8166-1-02 [0,2,0,0,0,0|0,0,0]=2 25 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O 4H58-1-SH [1,0,0,1,0,0|0,1,1]=4 26 B11R1.1385 NC(=O)C1(C(=O)O)CCCC1 4248-1-16 [0,0,0,1,1,0|2,0,0]=4 27 B11R1.1385 O=C(O)C1(C(=O)O)CCCC1 2221-1-0L [0,0,0,1,1,0|2,0,0]=4 28 B13R1.1113 CC(=O)NC(C(=O)O)C1CCCC1 4258-1-0G [0,1,0,1,0,0|1,0,0]=3 29 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O 2223-1-47 [0,1,0,1,0,0|2,0,0]=4 30 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O 2223-1-37 [0,1,0,1,0,0|2,0,0]=4 31 B9R0.33 CCCC(C(=O)O)C(=O)O 2121-1-0K [1,0,0,0,1,0|1,0,0]=3 32 B9R0.33 CSCC(C(C)=O)C(C)=O 6166-1-11 [1,0,0,0,1,0|1,0,0]=3