0 B9R0.7 CC(=O)CCC(C)C(=O)O F2147-8545 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 CC(=O)CCC(F)C(=O)O F2147-8556 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(C)=CCC(F)C(=O)O F2147-5922 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.7 CC(CCC(F)F)C(=O)O F2147-8564 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.7 NC(CCC(F)F)C(=O)O F2147-8561 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.7 NC(CSC(F)F)C(=O)O F2197-0378 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.7 O=C(O)CCC(F)C(=O)O F2147-5786 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 C#CCCC(F)C(=O)O F2147-5931 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.8 C#CCCC(N)C(=O)O F2147-2762 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.8 C=CCCC(F)C(=O)O F2147-5991 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.8 C=CCCC(N)C(=O)O F8880-1233 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.8 CC#CCC(N)C(=O)O F8881-2802 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.8 COCCC(F)C(=O)O F2147-5761 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.8 COCCC(N)C(=O)O F8887-3926 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.8 N#CCCC(F)C(=O)O F2147-5779 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.9 C#CC(N)CCC(=O)O F1913-0216 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.28 O=C(O)CCCC(F)F F1905-8061 [1,0,0,0,0,0|2,0,1]=4 17 B10R0.43 CC(=O)CCC(F)(F)C(=O)O F2147-8679 [0,1,0,0,0,0|2,0,0]=3 18 B10R0.43 O=C(O)CCC(F)(F)C(=O)O F1913-7046 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.84 CCC(CCC(C)=O)C(=O)O F2147-8546 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.92 CC(F)(F)CCC(N)C(=O)O F2147-8557 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.13 O=C1NCC(C(=O)O)CN1 F2147-2591 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.58 CN1CC(C(=O)O)OC1=O F1913-7692 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.81 NC(C(=O)O)C1CC(=O)C1 F2147-4771 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.470 CC1(C(=O)O)CNC(=O)C1 F8889-6796 [0,0,0,1,0,0|3,0,0]=4 25 B8R0.23 C=C(C)CC(F)C(=O)O F2147-5976 [0,0,0,0,1,0|3,0,0]=4 26 B8R0.23 NC(CC(F)F)C(=O)O F8887-3929 [0,0,0,0,1,0|2,0,1]=4 27 B8R0.23 O=C(O)CC(F)C(=O)O F2147-5754 [0,0,0,0,1,0|2,0,0]=3 28 B10R0.98 NC(CCSC(F)F)C(=O)O F1913-6333 [0,0,0,0,0,1|2,0,1]=4 29 B7R0.3 C=CCCC(C)C=O F2147-8873 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.5 NC(CCF)C(=O)O F1913-7468 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.8 C#CCCC(N)C(=O)OC F1913-2966 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.47 C#CCCCC(N)C(=O)O F2147-6623 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.47 C=CCCCC(F)C(=O)O F2147-6000 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.47 C=CCCCC(N)C(=O)O F2147-6652 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.47 CCOCCC(N)C(=O)O F2147-6583 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.51 C=CCCC(F)(F)C(=O)O F1913-2950 [1,1,0,0,0,0|2,0,0]=4 37 B11R0.169 CC(C)(CC(F)C(=O)O)C(=O)O F1913-3713 [0,2,0,0,0,0|2,0,0]=4 38 B11R0.169 CC(CC(F)(F)C(=O)O)C(=O)O F1913-7081 [0,2,0,0,0,0|2,0,0]=4 39 B11R0.201 COC(=O)CCC(C)(C)C(=O)O F8880-0380 [0,2,0,0,0,0|2,0,0]=4 40 B11R0.59 CCOC(=O)C(C)CCC(C)=O F2147-8549 [0,2,0,0,0,0|2,0,0]=4 41 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C F2147-8547 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.23 CN1CC(C=O)OC1=O F2147-3309 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.35 O=C1CC(C(=O)O)CO1 F2147-1585 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.35 O=C1NCC(C(=O)O)O1 F8881-2239 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.53 C=C1CC(CC(=O)O)C1 F1913-0309 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.53 NC(=O)CC1CC(=O)C1 F2147-5199 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.161 O=C(O)C1CC1[N+](=O)[O-] F2147-1409 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.743 O=C(O)CC1CC(C(=O)O)C1 F2167-8195 [0,0,0,1,0,1|2,0,0]=4 49 B11R1.153 CC(CC1CC(=O)C1)C(=O)O F2147-8320 [0,0,0,1,0,1|2,0,0]=4 50 B11R1.153 NC(CC1CC(=O)C1)C(=O)O F2147-8322 [0,0,0,1,0,1|1,0,0]=3 51 B11R1.153 O=C1CC(CC(F)C(=O)O)C1 F2147-8321 [0,0,0,1,0,1|2,0,0]=4 52 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 F8889-5000 [0,0,0,1,0,1|2,0,0]=4 53 B11R1.565 O=C1CCC(C(=O)O)CCN1 F8880-0039 [0,0,0,1,0,1|2,0,0]=4 54 B11R1.666 CC(C)(C(=O)O)C1CC(=O)C1 F2147-4852 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.22 COC(=O)C1CNC(=O)CN1 F8888-7663 [0,1,0,1,0,0|2,0,0]=4 56 B7R0.2 NC(=O)C\C(N)=N\O F2145-0242 [1,0,0,0,1,0|1,0,1]=4