0 B8R0.23 C=C(C)CC(F)C(=O)O F2147-5976 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 CC(CC(=O)O)C(F)F F1913-1884 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(CC(F)F)C(=O)O F1913-0355 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 NC(CC(F)F)C(=O)O F8887-3929 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 O=C(O)C(F)CC(F)F F2147-6009 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 O=C(O)CC(F)C(=O)O F2147-5754 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.2 C#CC(C)CC(=O)O F1913-0982 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 N#CCC(F)C(=O)O F2147-5599 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 NC(CCF)C(=O)O F1913-7468 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 CC(=O)CC[N+](=O)[O-] F2147-8657 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 O=C(O)CCC(F)F F8880-4978 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.11 C=C(C)CC(C)(C)C(=O)O F8884-3397 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.57 CC(CS(C)(=O)=O)C(=O)O F8881-1611 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.35 CC(=O)C1CNC(=O)C1 F2147-8668 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 O=C1CC(C(=O)O)CO1 F2147-1585 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.35 O=C1NCC(C(=O)O)O1 F8881-2239 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] F2147-1409 [0,0,0,1,0,0|2,0,1]=4 17 B9R0.7 CC(=O)CCC(C)C(=O)O F2147-8545 [0,0,0,0,0,1|2,0,0]=3 18 B9R0.7 CC(=O)CCC(F)C(=O)O F2147-8556 [0,0,0,0,0,1|2,0,0]=3 19 B9R0.7 CC(C)=CCC(F)C(=O)O F2147-5922 [0,0,0,0,0,1|3,0,0]=4 20 B9R0.7 O=C(O)CCC(F)C(=O)O F2147-5786 [0,0,0,0,0,1|1,0,0]=2 21 B6R0.3 CCC(F)C(=O)O F2147-5487 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.5 COCC(C)CC(=O)O F8881-0004 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.8 C=CCCC(F)C(=O)O F2147-5991 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.8 C=CCCC(N)C(=O)O F8880-1233 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.8 COCCC(F)C(=O)O F2147-5761 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.8 COCCC(N)C(=O)O F8887-3926 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.37 CC(F)(C(=O)O)C(=O)O F2147-5484 [0,1,0,0,1,0|1,0,0]=3 28 B10R0.43 CC(=O)CCC(F)(F)C(=O)O F2147-8679 [0,1,0,0,0,1|2,0,0]=4 29 B10R0.43 O=C(O)CCC(F)(F)C(=O)O F1913-7046 [0,1,0,0,0,1|1,0,0]=3 30 B10R0.84 CCC(CCC(C)=O)C(=O)O F2147-8546 [0,1,0,0,0,1|2,0,0]=4 31 B10R0.114 O=P(O)(O)CC(O)P(=O)(O)O F1905-7207 [0,2,0,0,0,0|2,0,0]=4 32 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O F2147-5440 [0,2,0,0,0,0|1,0,0]=3 33 B10R0.162 CC(C)=C(CC(=O)O)C(=O)O F1913-1582 [0,2,0,0,0,0|1,0,1]=4 34 B10R0.162 CC(C)C(CC(=O)O)C(=O)O F2148-1327 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.1 O=C1CC(CO)CO1 F2147-2093 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.43 C=CC1CC1C(=O)O F1913-5193 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.43 C=C[C@H]1C[C@@H]1C(=O)O F1913-7368 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O F1913-7369 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.23 CC(=O)C1CC(=O)C1 F2147-4832 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.13 O=C1NCC(C(=O)O)CN1 F2147-2591 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.58 CN1CC(C(=O)O)OC1=O F1913-7692 [0,0,0,1,0,1|2,0,0]=4 42 B10R1.81 NC(C(=O)O)C1CC(=O)C1 F2147-4771 [0,0,0,1,0,1|2,0,0]=4 43 B10R1.470 CC1(C(=O)O)CNC(=O)C1 F8889-6796 [0,0,0,1,0,1|2,0,0]=4 44 B10R1.54 O=C(O)CC1CCC(=O)C1 F2147-3720 [0,0,0,1,0,1|2,0,0]=4 45 B10R1.54 O=C(O)CC1CNC(=O)C1 F2147-1992 [0,0,0,1,0,1|2,0,0]=4 46 B10R1.64 O=C(O)CC1CCNC1=O F8887-2077 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O F1913-6669 [0,1,0,1,0,0|1,0,0]=3