0 B8R0.28 C=C(F)CCCC(=O)O 102358 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(C)\C=C\CC(=O)O 16794 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.28 O=C(O)CCCC(=O)O 20751 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 O=C(O)CCO[N+](=O)[O-] 21982 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.4 C=C(F)CCCCO 102348 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.4 C=CCCCC(=O)O 102353 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 CCO\C=C\C(=O)O 103160 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 22001 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 O=C1CC[C@H](C(=O)O)O1 22012 [0,0,0,1,0,0|2,0,1]=4 9 B7R0.6 CC(C)=CCC(=O)O 16792 [0,0,0,0,1,0|0,0,2]=3 10 B7R0.6 CC(C)\C=C\C(=O)O 16790 [0,0,0,0,1,0|0,0,2]=3 11 B8R0.5 C=CCC(O)CC(C)O 19502 [1,1,0,0,0,0|2,0,0]=4 12 B8R0.6 CCCCCC(O)CF 100185 [1,1,0,0,0,0|1,0,1]=4 13 B8R0.6 COC(=O)CCCCO 102453 [1,1,0,0,0,0|1,0,0]=3 14 B8R0.7 C=C(C)COCCCC 102301 [1,1,0,0,0,0|2,0,0]=4 15 B8R0.7 CCCC\C=C\C(=O)O 16793 [1,1,0,0,0,0|0,0,1]=3 16 B8R0.7 CCCC\C=C\C(=O)[O-] 12809 [1,1,0,0,0,0|0,0,2]=4 17 B8R0.9 CN(C)CCN(C)C=O 102652 [1,1,0,0,0,0|2,0,0]=4 18 B8R0.23 CC(=O)CC(=O)C(C)C 16776 [0,1,0,0,1,0|1,0,1]=4 19 B10R0.55 CC(=O)OCCCC(F)CBr 102334 [0,1,0,0,0,1|2,0,0]=4 20 B10R0.55 O=C(O)CCCCC(F)CBr 102155 [0,1,0,0,0,1|1,0,0]=3 21 B10R0.3 C=C(C)CCCC(C)CCBr 12189 [0,2,0,0,0,0|2,0,0]=4 22 B10R0.3 C=C(C)CCCC(C)CCO 12188 [0,2,0,0,0,0|2,0,0]=4 23 B10R0.3 CC(C)CCCC(C)CCO 12191 [0,2,0,0,0,0|1,0,1]=4 24 B8R1.1 O=C1CC[C@H](CBr)N1 22002 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.1 O=C1CC[C@H](CBr)O1 21988 [1,0,0,1,0,0|1,0,0]=3 26 B8R1.1 [NH3+]C[C@H]1CCC(=O)O1 21998 [1,0,0,1,0,0|1,0,0]=3 27 B8R1.4 CC1=CC(=O)CCC1 19984 [1,0,0,1,0,0|0,0,2]=4 28 B8R1.31 [C@@H]1([C@@H](C)O)CNC1=O 13747 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.54 [NH+](C)(C)C[C@H]1CCC(=O)O1 21996 [0,0,0,1,0,1|1,0,0]=3 30 B10R1.13 CC(=O)C1CC=C(C)CC1 102606 [0,1,0,1,0,0|1,0,1]=4 31 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 22000 [0,1,0,1,0,0|1,0,1]=4 32 B10R1.485 CCC1(O)CCCC(C)C1 12517 [0,1,0,1,0,0|1,0,1]=4 33 B10R1.359 CC1(C)OCC(C(N)=O)O1 102107 [0,1,0,1,0,0|2,0,0]=4 34 B10R1.329 CC1(C)CC(=O)CC(=O)C1 20747 [0,1,0,1,0,0|1,0,1]=4 35 B10R1.329 CC1(C)OC(=O)CC(=O)O1 16331 [0,1,0,1,0,0|1,0,1]=4