0 B9R0.7 CC(=O)N(C)CCC(=O)O 4158-1-X3 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 O=C(O)CCC(=O)C(=O)O 2129-1-00 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.7 O=C(O)CCC(F)=C(F)F 2321-3-05 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 N=C(N)NCCC(=O)O 4158-1-49 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.43 CC(C)(CCC(=O)O)C(=O)O 2121-1-X6 [0,1,0,0,0,0|1,0,0]=2 6 B10R0.92 CP(=O)(O)CCC(N)C(=O)O 8174-1-00 [0,1,0,0,0,0|1,0,0]=2 7 B10R0.92 NC(CCC(F)(F)F)C(=O)O 4157-3-13 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.93 NC(CC(F)C(=O)O)C(=O)O 4157-3-08 [0,1,0,0,0,0|0,0,0]=1 9 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.349 CC(=O)N1CC(C(=O)O)C1 4H58-1-146 [0,0,0,1,0,0|3,0,0]=4 12 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 4158-1-S9 [0,0,0,0,1,0|3,0,0]=4 13 B8R0.23 CC(=O)N[C@H](C)C(=O)O 4158-1-59 [0,0,0,0,1,0|3,0,0]=4 14 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,0,0,0,1,0|1,0,0]=2 15 B10R0.98 O=C(O)CONC(=O)C(=O)O 4156-1-W0 [0,0,0,0,0,1|2,0,1]=4 16 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.4 NCCCCC(=O)O 4157-1-37 [2,0,0,0,0,0|1,0,1]=4 18 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [2,0,0,0,0,0|1,0,1]=4 19 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [2,0,0,0,0,0|0,0,1]=3 20 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [2,0,0,0,0,0|0,0,1]=3 21 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [2,0,0,0,0,0|0,0,0]=2 23 B9R0.8 CCCCC(N)C(=O)OC 4157-5-03 [1,1,0,0,0,0|1,0,1]=4 24 B9R0.8 COC(=O)C(N)CCSC 8166-5-03 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-S6 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.47 NCCCC[C@H](N)C(=O)O 4157-1-X0 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.1 COC(=O)CCCC(C)=O 2129-1-1R [1,1,0,0,0,0|1,0,0]=3 28 B9R0.11 CC(C)(CC(=O)O)C(=O)O 2121-1-16 [0,1,0,0,1,0|1,0,0]=3 29 B9R0.11 O=C(O)CC(F)(F)C(=O)O 2121-3-07 [0,1,0,0,1,0|1,0,0]=3 30 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 2129-1-S1 [0,1,0,0,1,0|1,0,0]=3 31 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 4222-1-03 [0,1,0,0,1,0|1,0,0]=3 32 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O 2129-1-R1 [0,1,0,0,1,0|1,0,0]=3 33 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC 4158-5-RE [0,2,0,0,0,0|0,0,0]=2 34 B9R1.6 O=C(O)C1CC=CCC1 2421-1-00 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [1,0,0,1,0,0|1,0,1]=4 37 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.6 O=C(O)[C@@H]1CC=CCC1 2421-1-S0 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.6 O=C(O)[C@H]1CC=CCC1 2421-1-R0 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [1,0,0,1,0,0|1,0,1]=4 41 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [1,0,0,1,0,0|0,0,0]=2 43 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [1,0,0,1,0,0|1,0,0]=3 44 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [1,0,0,1,0,0|0,0,0]=2 45 B9R1.69 NC1CCC(=O)NC1=O 4H48-5-0E [1,0,0,1,0,0|1,0,0]=3 46 B9R1.110 NC(C(=O)O)C1CCC1 4257-1-07 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O 2121-1-Z1 [1,0,0,1,0,0|1,0,0]=3 48 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 2221-1-Y2 [0,0,0,1,0,1|1,0,0]=3 49 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,0,0,0,2,0|1,0,1]=4 50 B7R0.16 NC(=O)C(N)C(N)=O 4148-1-07 [0,0,0,0,2,0|2,0,0]=4 51 B9R0.55 CC(=O)CCCCC(=O)O 2121-1-X0 [1,0,0,0,0,1|1,0,0]=3 52 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 4157-1-X6 [0,0,0,0,0,2|2,0,0]=4 53 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O 4157-5-S7 [0,0,0,0,0,2|2,0,0]=4