0 B7R0.6 CC(=O)NCC(=O)O 543-24-8 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(C)CCC(=O)O 646-07-1 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.6 N=C(N)NCC(=O)O 352-97-6 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 O=C(O)CCC(=O)O 110-15-6 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 CCCCC(=O)O 109-52-4 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.4 CSCCC(=O)O 646-01-5 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.4 NCCCC(=O)O 56-12-2 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.4 O=CNCC(=O)O 2491-15-8 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.9 NCC(=O)CCC(=O)O 5451-09-2 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.9 NCC(=O)NCC(=O)O 556-50-3 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 97-69-8 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.23 CC(C)CC(=O)C(=O)O 816-66-0 [0,1,0,0,0,0|0,0,1]=2 12 B8R0.23 CC(C)CC(N)C(=O)O 328-39-2 [0,1,0,0,0,0|0,0,0]=1 13 B8R0.23 CC(C)C[C@H](O)C(=O)O 13748-90-8 [0,1,0,0,0,0|0,0,0]=1 14 B8R0.23 CC(CC(=O)O)C(=O)O 498-21-5 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 NC(=O)CC(N)C(=O)O 70-47-3 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 NC(CC(=O)O)C(=O)O 56-84-8 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 N[C@H](CC(=O)O)C(=O)O 1783-96-6 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 O=C(O)C[C@H](O)C(=O)O 97-67-6 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(=O)CC(=O)[O-] 3483-11-2 [0,0,0,0,1,0|1,0,2]=4 20 B6R0.2 CC(C)=CC(=O)O 541-47-9 [0,0,0,0,1,0|0,0,2]=3 21 B6R0.2 CC(O)CC(=O)O 300-85-6 [0,0,0,0,1,0|1,0,0]=2 22 B6R0.2 CN(C)CC(=O)O 1118-68-9 [0,0,0,0,1,0|1,0,0]=2 23 B6R0.2 C[C@@H](O)CC(=O)O 625-72-9 [0,0,0,0,1,0|1,0,0]=2 24 B6R0.2 O=C(O)CC(=O)O 141-82-2 [0,0,0,0,1,0|2,0,1]=4 25 B8R0.28 NC(=O)NCCC(=O)O 462-88-4 [0,0,0,0,0,1|2,0,1]=4 26 B8R0.28 O=C(O)CCCC(=O)O 110-94-1 [0,0,0,0,0,1|2,0,1]=4 27 B5R0.1 CC(C)=CCO 556-82-1 [2,0,0,0,0,0|0,0,2]=4 28 B5R0.1 CCCC(=O)O 107-92-6 [2,0,0,0,0,0|0,0,0]=2 29 B5R0.1 CNCC(=O)O 107-97-1 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 C\C=C\C(=O)O 107-93-7 [2,0,0,0,0,0|0,0,2]=4 31 B5R0.1 NCCC(=O)O 107-95-9 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.1 NCCS(=O)O 300-84-5 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.4 CCCCCC(=O)O 142-62-1 [1,1,0,0,0,0|0,0,0]=2 34 B7R0.4 NCCCCC(=O)O 660-88-8 [1,1,0,0,0,0|0,0,0]=2 35 B7R0.5 CCC[C@H](N)C(=O)O 6600-40-4 [1,1,0,0,0,0|0,0,0]=2 36 B7R0.5 NC(CCS)C(=O)O 454-29-5 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.5 N[C@@H](CCO)C(=O)O 672-15-1 [1,1,0,0,0,0|1,0,0]=3 38 B7R0.8 NCCCS(=O)(=O)O 3687-18-1 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.9 CC(C)(O)CC(=O)O 625-08-1 [0,1,0,0,1,0|0,0,0]=2 40 B7R0.9 C[N+](C)(C)CC(=O)[O-] 107-43-7 [0,1,0,0,1,0|1,0,1]=4 41 B7R0.16 CC(C)C(=O)C(=O)O 759-05-7 [0,1,0,0,1,0|0,0,1]=3 42 B7R0.16 CC(C)C(N)C(=O)O 72-18-4 [0,1,0,0,1,0|0,0,0]=2 43 B7R0.16 CC(C)C(O)C(=O)O 4026-18-0 [0,1,0,0,1,0|0,0,0]=2 44 B7R0.16 CC(O)C(N)C(=O)O 72-19-5 [0,1,0,0,1,0|1,0,0]=3 45 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 28954-12-3 [0,1,0,0,1,0|1,0,0]=3 46 B9R0.1 COC(=O)CCCC(=O)O 1501-27-5 [0,1,0,0,0,1|1,0,1]=4 47 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 66638-22-0 [0,1,0,0,0,1|1,0,1]=4 48 B9R0.56 CC(=O)OCC[N+](C)(C)C 60-31-1 [0,1,0,0,0,1|2,0,0]=4 49 B9R0.56 C[N+](C)(C)CCCC(=O)O 6249-56-5 [0,1,0,0,0,1|1,0,0]=3 50 B7R1.3 O=C1CCCCO1 542-28-9 [1,0,0,1,0,0|0,0,0]=2 51 B9R1.35 O=C(O)C1CC(O)CN1 51-35-4 [0,0,0,1,0,1|1,0,0]=3 52 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 2584-71-6 [0,0,0,1,0,1|1,0,0]=3 53 B9R1.66 CC1(O)CCOC(=O)C1 674-26-0 [0,0,0,1,0,1|2,0,0]=4 54 B9R1.138 C[C@H]1C(=O)OCC1(C)C 599-04-2 [0,1,0,1,0,0|2,0,0]=4 55 B5R0.5 CC(=O)C(=O)O 127-17-3 [0,0,0,0,2,0|1,0,1]=4 56 B5R0.5 CC(C)C(=O)O 79-31-2 [0,0,0,0,2,0|0,0,0]=2 57 B5R0.5 CC(N)C(=O)O 56-41-7 [0,0,0,0,2,0|1,0,0]=3 58 B5R0.5 C[C@@H](N)C(=O)O 338-69-2 [0,0,0,0,2,0|1,0,0]=3 59 B5R0.5 C[C@@H](O)C(=O)[O-] 920-49-0 [0,0,0,0,2,0|1,0,1]=4 60 B5R0.5 C[C@H](O)C(=O)O 79-33-4 [0,0,0,0,2,0|1,0,0]=3 61 B9R0.55 CC(=O)NCCCC(=O)O 3025-96-5 [0,0,0,0,0,2|1,0,1]=4