0 B8R0.7 CCCCCCC(=O)O C17714 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.9 NCC(=O)CCC(=O)O C00430 [1,0,0,0,0,0|2,0,0]=3 2 B8R0.9 NCC(=O)NCC(=O)O C02037 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.9 O=CC(=O)CCC(=O)O C02800 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.96 CN(C)NC(=O)CCC(=O)O C10996 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.64 CC(=O)C[C@@H]1CCCN1C C11359 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.64 CC(=O)C[C@H]1CCCN1C C06179 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.64 [*]C(=O)N[C@H]1CCOC1=O C18049 [0,0,0,1,0,0|2,0,0]=3 8 B8R0.5 CCCC(=O)CC(=O)O C02122 [0,0,0,0,1,0|2,0,0]=3 9 B8R0.5 CCOC(=O)CC(C)=O C03500 [0,0,0,0,1,0|0,0,0]=1 10 B8R0.5 CCOC(=O)CC(C)C C12290 [0,0,0,0,1,0|1,0,1]=3 11 B8R0.5 CCOC(=O)C[C@@H](C)O C03499 [0,0,0,0,1,0|0,0,2]=3 12 B7R0.1 CCCCCCC=O C14390 [2,0,0,0,0,0|1,0,1]=4 13 B7R0.4 CCCCCC(=O)O C01585 [2,0,0,0,0,0|1,0,1]=4 14 B7R0.4 CCCCCC(C)=O C08380 [2,0,0,0,0,0|0,0,1]=3 15 B7R0.4 CCCCOC(C)=O C12304 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.6 CC(=O)NNC(C)=O C16622 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.6 CC(=O)\C=C/C(=O)O C07091 [2,0,0,0,0,0|0,0,2]=4 18 B7R0.6 CC(C)CCC(=O)O C21399 [2,0,0,0,0,0|1,0,1]=4 19 B7R0.6 O=C(O)CCC(=O)O C00042 [2,0,0,0,0,0|1,0,0]=3 20 B7R0.6 O=C(O)CC[N+](=O)[O-] C05669 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.6 [*]C(=O)NCC(=O)O C02055 [2,0,0,0,0,0|2,0,0]=4 22 B9R0.2 CC\C=C/CCOC(C)=O C19757 [1,1,0,0,0,0|1,0,0]=3 23 B9R0.7 CC(S)C(=O)NCC(=O)O C12876 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.42 COC(=O)CC(=O)C(=O)O C03716 [1,1,0,0,0,0|1,0,1]=4 25 B9R0.53 C[C@H](N)CC(=O)CC(=O)O C03656 [0,1,0,0,1,0|2,0,0]=4 26 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O C01047 [0,1,0,0,0,1|2,0,0]=4 27 B9R1.48 O=C1CCCCC(O)O1 C03241 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 C01879 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.35 O=C1CC[C@H](C(=O)O)N1 C02237 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.35 O=C1CN[C@H](C(=O)O)C1 C01877 [1,0,0,1,0,0|2,0,0]=4 31 B11R1.21 C=C(C)C1CCC(C)C(=O)C1 C18018 [0,1,0,1,0,0|2,0,0]=4 32 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 C11398 [0,1,0,1,0,0|2,0,0]=4 33 B11R1.21 C=C(C)[C@@H]1CC[C@H](C)C(=O)C1 C11401 [0,1,0,1,0,0|2,0,0]=4 34 B11R1.21 C=C(C)[C@H]1CC[C@@H](C)C(=O)C1 C11412 [0,1,0,1,0,0|2,0,0]=4 35 B11R1.21 C=C(C)[C@H]1CC[C@H](C)C(=O)C1 C11415 [0,1,0,1,0,0|2,0,0]=4 36 B11R1.21 O=C1C[C@@H](C(=O)O)CC[C@@H]1O C04670 [0,1,0,1,0,0|2,0,0]=4 37 B7R0.2 CCC(=O)CC(=O)O C02233 [1,0,0,0,1,0|1,0,0]=3 38 B7R0.2 COC(=O)NC(N)=O C10899 [1,0,0,0,1,0|2,0,0]=4 39 B7R0.2 [*]SC(=O)CC(C)=O C05744 [1,0,0,0,1,0|1,1,0]=4 40 B7R0.5 CCCC(=O)C(=O)O C06255 [0,0,0,0,2,0|2,0,0]=4