0 B8R0.8 C#CCCC(F)C(=O)O F2147-5931 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 C#CCCC(N)C(=O)O F2147-2762 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 C=CCCC(F)C(=O)O F2147-5991 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 C=CCCC(N)C(=O)O F8880-1233 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.8 CC#CCC(F)C(=O)O F2147-5556 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CC#CCC(N)C(=O)O F8881-2802 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.8 CCCCC(Br)C(=O)Cl F1913-0464 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.8 COCCC(F)C(=O)O F2147-5761 [0,0,0,0,0,0|1,1,0]=2 8 B8R0.8 COCCC(N)C(=O)O F8887-3926 [0,0,0,0,0,0|0,1,0]=1 9 B8R0.8 CSC\C=C(/Br)C(=O)O F1913-6624 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.8 CSC\C=C(/F)C(=O)O F1913-6625 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.8 N#CCCC(F)C(=O)O F2147-5779 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.3 C=CCCC(C)C=O F2147-8873 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CC(C=O)CCC#N F8888-5611 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.3 CCCCC(F)CO F2147-5513 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.3 COCCC(F)CO F2147-5762 [1,0,0,0,0,0|1,1,1]=4 16 B7R0.3 COCCC(N)CO F8888-3344 [1,0,0,0,0,0|0,1,1]=3 17 B7R0.4 C#CCOCC(=O)O F8885-6186 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 C=C(C)CCCNC F1913-0544 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.5 CCSC(F)C(=O)O F8884-4602 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 N#CCC(F)C(=O)O F2147-5599 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 NC(CCF)C(=O)O F1913-7468 [1,0,0,0,0,0|1,0,0]=2 22 B9R0.7 CC(=O)CCC(C)C(=O)O F2147-8545 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.7 CC(=O)CCC(F)C(=O)O F2147-8556 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.7 CC(C)=CCC(F)C(=O)O F2147-5922 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.7 CC(CCC(F)F)C(=O)O F2147-8564 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.7 NC(CCC(F)F)C(=O)O F2147-8561 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.7 NC(CSC(F)F)C(=O)O F2197-0378 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.7 O=C(O)CCC(F)C(=O)O F2147-5786 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.8 C#CCCC(N)C(=O)OC F1913-2966 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.47 C#CCCCC(F)C(=O)O F2147-5940 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.47 C#CCCCC(N)C(=O)O F2147-6623 [0,1,0,0,0,0|1,0,1]=3 32 B9R0.47 C=CCCCC(F)C(=O)O F2147-6000 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.47 C=CCCCC(N)C(=O)O F2147-6652 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.47 CCOCCC(F)C(=O)O F2147-5770 [0,1,0,0,0,0|1,1,0]=3 35 B9R0.47 CCOCCC(N)C(=O)O F2147-6583 [0,1,0,0,0,0|0,1,0]=2 36 B9R0.51 C=CCCC(F)(F)C(=O)O F1913-2950 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.51 CC#CCC(C)(C)C(=O)O F2147-6084 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.95 CC=C1CC(C(=O)O)C1 F2167-7754 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.95 CCC1CC(C(=O)O)C1 F2167-8038 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.95 CS[C@H]1C[C@@H](C(=O)O)C1 F2147-8650 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.95 CS[C@H]1C[C@H](C(=O)O)C1 F2147-8649 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.110 O=C(O)C(F)C1CCC1 F2147-5897 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.110 O=C(O)C(F)C1CNC1 F1913-0189 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.110 O=C(O)C(F)C1COC1 F1913-0176 [0,0,0,1,0,0|1,1,0]=3 45 B9R1.112 O=C(O)C(F)CC1CC1 F2147-5861 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.163 NC(=O)C1(N)CCOC1 F8880-7445 [0,0,0,1,0,0|1,1,0]=3 47 B9R1.163 NC(=O)C1(N)CCOC1 F8888-2024 [0,0,0,1,0,0|1,1,0]=3 48 B9R1.163 O=C(O)C1(F)CCCC1 F8889-1819 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.163 O=C(O)C1(F)CCNC1 F2197-0387 [0,0,0,1,0,0|2,0,0]=3 50 B6R0.1 CCCC(F)CO F2147-5496 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.1 CSCC(N)CO F8883-8043 [2,0,0,0,0,0|0,0,1]=3 52 B6R0.1 NC(CO)CCF F8888-3054 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 CSSCC(=O)O F8881-3230 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.6 C=CCCCC=O F2147-8874 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.3 CCC(F)C(=O)O F2147-5487 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.5 COCC(C)CC(=O)O F8881-0004 [1,1,0,0,0,0|0,1,0]=3 57 B8R0.7 CC(=O)CCCCCN F1903-0013 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.28 CC(Cl)CCCC(=O)Cl F8889-6486 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.28 O=C(O)CCCC(F)F F1905-8061 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.2 CCC(C)C(F)C(=O)O F2147-5574 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.12 CC(C)(CCF)C(=O)O F1913-7218 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.23 C=C(C)CC(F)C(=O)O F2147-5976 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.23 CC(CC(F)F)C(=O)O F1913-0355 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.23 NC(CC(F)F)C(=O)O F8887-3929 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.23 O=C(O)C(F)CC(F)F F2147-6009 [1,1,0,0,0,0|2,0,0]=4 66 B10R0.43 CC(=O)CCC(F)(F)C(=O)O F2147-8679 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.84 CCC(CCC(C)=O)C(=O)O F2147-8546 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.92 CC(CCC(C)(F)F)C(=O)O F2147-8552 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.92 CC(F)(F)CCC(F)C(=O)O F2147-8555 [0,2,0,0,0,0|2,0,0]=4 70 B10R0.92 CC(F)(F)CCC(N)C(=O)O F2147-8557 [0,2,0,0,0,0|1,0,0]=3 71 B10R0.93 CN(C)C(=O)CC(N)C(=O)O F2147-6527 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.124 CCCCC(C)(C)C(=O)OC F2147-6049 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.124 COCCC(C)(C)C(=O)OC F2147-6252 [0,2,0,0,0,0|1,1,0]=4 74 B10R0.98 NC(CCSC(F)F)C(=O)O F1913-6333 [0,2,0,0,0,0|0,0,0]=2 75 B8R1.2 C=CC1CCCCN1 F8888-8035 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.38 NC(CO)C1CCC1 F1913-3135 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.40 NC(CO)CC1CC1 F8881-5903 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.40 NC(CO)CC1CC1 F8887-6673 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.50 CN1CCC(O)C1=O F1905-0268 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.52 C#CC1(N)CCSC1 F1913-7499 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.52 NC1(CO)CCSC1 F8882-3957 [1,0,0,1,0,0|0,0,1]=3 82 B8R1.52 OCC1(F)CCSC1 F2167-8232 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.6 CNCC1CC(=O)C1 F2147-4838 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.7 O=C(O)C1CCSC1 F2147-1614 [1,0,0,1,0,0|0,0,0]=2 85 B8R1.31 CC1CCC1C(=O)O F8880-6303 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.34 CC(=O)CC1COC1 F2147-8624 [1,0,0,1,0,0|1,1,0]=4 87 B8R1.34 O=C(O)CC1CSC1 F2147-4270 [1,0,0,1,0,0|0,0,0]=2 88 B8R1.43 C#CC1CC1C(=O)O F1913-1035 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.43 C=CC1CC1C(=O)O F1913-5193 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.43 C=C[C@H]1C[C@@H]1C(=O)O F1913-7368 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O F1913-7369 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F1913-7309 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F1913-7308 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.54 NC(=O)C(N)C1CC1 F8882-4798 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.78 O=C(O)C1(F)CCC1 F1913-4938 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.54 CC1CCC(CC(=O)O)C1 F8880-1453 [0,0,0,1,0,1|2,0,0]=4 97 B10R1.370 NC1(CC(=O)O)CCOC1 F8888-2747 [0,0,0,1,0,1|0,1,0]=3 98 B10R1.23 NC(C(=O)O)C1CCOC1 F8887-3946 [0,1,0,1,0,0|0,1,0]=3 99 B10R1.81 NC(C(=O)O)C1CC(=O)C1 F2147-4771 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.291 NC1(C(=O)O)COCC1O F1913-5891 [0,1,0,1,0,0|0,1,0]=3 101 B10R1.495 CC1(C(N)C(=O)O)CCC1 F2147-8779 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.470 CN1CCC(F)(C(=O)O)C1 F2197-0411 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.182 COC(=O)C(N)C1CCC1 F1913-3134 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.182 COC(=O)C(N)C1CCC1 F8887-3419 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.411 COC(=O)C1(F)CCNC1 F8881-1519 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.411 COC(=O)C1(F)CCNC1 F8887-6745 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.229 CC1CCC1(C#N)C(=O)O F1913-6173 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.348 O=C(O)C1CCNCCO1 F1913-5016 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.204 NC(CC1CCC1)C(=O)O F8888-5303 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.235 CCC1(C)CC(C(=O)O)C1 F1913-2589 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.93 CCCC1CC(C(=O)O)C1 F2167-8066 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.93 CCO[C@H]1C[C@H](C(=O)O)C1 F1913-1472 [0,1,0,1,0,0|1,1,0]=4 113 B10R1.93 NCCC1CC(C(=O)O)C1 F2167-7170 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.363 O=C(O)C1(Br)CCOCC1 F8880-6100 [0,1,0,1,0,0|1,1,0]=4 115 B10R1.356 CC(C)(CC1CC1)C(=O)O F8884-3401 [0,1,0,1,0,0|2,0,0]=4 116 B10R2.344 O=C(O)C12COCC1C2 F2147-3644 [0,0,0,2,0,0|1,1,0]=4 117 B10R2.355 O=C(O)C1NCC2CC21 F2124-1142 [0,0,0,2,0,0|1,0,0]=3