0 B8R0.2 CCC(C)C(F)C(=O)O F2147-5574 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.2 C#CC(C)CC(=O)O F1913-0982 [1,0,0,0,0,0|0,0,2]=3 2 B7R0.5 CCSC(F)C(=O)O F8884-4602 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.5 N#CCC(F)C(=O)O F2147-5599 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 NC(CCF)C(=O)O F1913-7468 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.10 CCC(C)C(F)CBr F2147-5576 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.10 CCC(C)C(F)CN F2147-5577 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.10 CCC(C)C(F)CO F2147-5575 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.16 CC(C(=O)O)C(F)F F1913-6649 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.16 CC(C)C(F)C(=O)O F8889-5916 [1,0,0,0,0,0|1,0,0]=2 10 B9R0.6 CCC\C(C)=C(/F)C(=O)O F1913-6647 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.28 CCC(O)C(F)(F)C(=O)O F1913-1720 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.32 C#CC(C)(C)C(F)C(=O)O F1913-5855 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.41 CC1NCCC1C(=O)O F1913-1553 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O F1913-3325 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.41 O=C(O)[C@H]1CNC[C@H]1F F1913-3322 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.110 O=C(O)C(F)C1CCC1 F2147-5897 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.110 O=C(O)C(F)C1CNC1 F1913-0189 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.110 O=C(O)C(F)C1COC1 F1913-0176 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.159 CC1CCC1(N)C(F)F F1913-6182 [0,0,0,1,0,0|2,0,1]=4 20 B6R0.1 CCCC(F)CO F2147-5496 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.1 CSCC(N)CO F8883-8043 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.1 NC(CO)CCF F8888-3054 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 CSSCC(=O)O F8881-3230 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.3 C#CC(N)C(C)C F1913-5261 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.3 C#C[C@@H](N)C(C)C F1913-5265 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.3 C#C[C@H](N)C(C)C F1913-5263 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.3 C=CC(N)C(C)C F1913-5270 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.3 CC(C)C(F)CO F2147-5504 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.3 CCC(F)C(=O)O F2147-5487 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.5 COCC(C)CC(=O)O F8881-0004 [1,1,0,0,0,0|0,0,0]=2 31 B8R0.23 CC(CC(=O)Cl)C(F)F F1913-2986 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.23 CC(CC(=O)O)C(F)F F1913-1884 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.3 COC(=O)C(N)CCF F1913-7467 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.8 C#CCCC(F)C(=O)O F2147-5931 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.8 C#CCCC(N)C(=O)O F2147-2762 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.8 C=CCCC(F)C(=O)O F2147-5991 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.8 C=CCCC(N)C(=O)O F8880-1233 [1,1,0,0,0,0|0,0,1]=3 38 B8R0.8 CC#CCC(F)C(=O)O F2147-5556 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.8 CC#CCC(N)C(=O)O F8881-2802 [1,1,0,0,0,0|0,0,1]=3 40 B8R0.8 CCCCC(Br)C(=O)Cl F1913-0464 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.8 COCCC(F)C(=O)O F2147-5761 [1,1,0,0,0,0|1,0,0]=3 42 B8R0.8 COCCC(N)C(=O)O F8887-3926 [1,1,0,0,0,0|0,0,0]=2 43 B8R0.8 N#CCCC(F)C(=O)O F2147-5779 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.12 CC(C)(CCF)C(=O)O F1913-7218 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.18 COC(C(=O)O)C(C)C F8880-2353 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.27 CC(C)(N)C(O)C(=O)O F1913-0556 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.27 CC(C)(N)C(O)C(=O)O F8884-1396 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.37 CC(N)(C(=O)O)C(F)F F1913-7802 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.37 CC(O)C(F)(F)C(=O)O F1913-1716 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.154 NC(C(=O)O)C(O)C(F)(F)F F8887-3913 [0,2,0,0,0,0|2,0,0]=4 51 B10R0.117 CC(C)(C(=O)O)C(N)C(=O)O F2147-5440 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.117 CC(C)C(O)C(F)(F)C(=O)O F1913-1724 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.1 NCC1COC(=O)C1 F2147-1307 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.1 NCC1COC(=O)O1 F1913-0465 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 O=C1CC(CO)CO1 F2147-2093 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.31 CC1CCC1C(=O)O F8880-6303 [1,0,0,1,0,0|0,0,0]=2 57 B8R1.34 CC(=O)CC1COC1 F2147-8624 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.34 O=C(O)CC1CSC1 F2147-4270 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.42 NC1(CC(=O)O)CC1 F8881-5867 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.43 C#CC1CC1C(=O)O F1913-1035 [1,0,0,1,0,0|0,0,2]=4 61 B8R1.43 C=CC1CC1C(=O)O F1913-5193 [1,0,0,1,0,0|0,0,2]=4 62 B8R1.43 C=C[C@H]1C[C@@H]1C(=O)O F1913-7368 [1,0,0,1,0,0|0,0,2]=4 63 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O F1913-7369 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.5 O=C1NCCCC1F F2147-8375 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 O=C(O)C1CCSC1 F2147-1614 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F1913-7309 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F1913-7308 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.54 NC(=O)C(N)C1CC1 F8882-4798 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.78 O=C(O)C1(F)CCC1 F1913-4938 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.38 NC(CO)C1CCC1 F1913-3135 [1,0,0,1,0,0|0,0,1]=3 71 B8R1.38 OCC(F)C1CCC1 F2147-5898 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.77 CC(=O)C1CC1(C)C F8887-5298 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.64 O=C(O)CC1CCCC1O F8884-5710 [0,0,0,1,0,1|2,0,0]=4 74 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O F2147-8533 [0,0,0,1,0,1|2,0,0]=4 75 B10R1.204 NC(CC1CCC1)C(=O)O F8888-5303 [0,0,0,1,0,1|0,0,0]=2 76 B10R1.235 CCC1(C)CC(C(=O)O)C1 F1913-2589 [0,0,0,1,0,1|1,0,0]=3 77 B10R1.470 CN1CCC(F)(C(=O)O)C1 F2197-0411 [0,0,0,1,0,1|2,0,0]=4 78 B10R1.23 NC(C(=O)O)C1CCOC1 F8887-3946 [0,1,0,1,0,0|0,0,0]=2 79 B10R1.81 CC(C(=O)O)N1CC(O)C1 F1908-0473 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.81 CC1CN([C@@H](C)C(=O)O)C1 F2147-2565 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.81 NC(C(=O)O)C1CC(=O)C1 F2147-4771 [0,1,0,1,0,0|0,0,1]=3 82 B10R1.291 NC1(C(=O)O)COCC1O F1913-5891 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.495 CC1(C(N)C(=O)O)CCC1 F2147-8779 [0,1,0,1,0,0|0,0,0]=2 84 B10R1.182 COC(=O)C(N)C1CCC1 F1913-3134 [0,1,0,1,0,0|0,0,0]=2 85 B10R1.182 COC(=O)C(N)C1CCC1 F8887-3419 [0,1,0,1,0,0|0,0,0]=2 86 B10R1.114 CC1CCNC(=O)C1(F)F F1913-7090 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.114 CC1CCOC(=O)C1(F)F F1913-7089 [0,1,0,1,0,0|1,0,0]=3 88 B10R1.39 CS[C@H]1CCN[C@@H]1C(=O)O F1913-7672 [0,1,0,1,0,0|0,0,0]=2 89 B10R1.229 CC1CCC1(C#N)C(=O)O F1913-6173 [0,1,0,1,0,0|0,0,1]=3 90 B10R1.128 CC1(C)CCCC1C(=O)O F2167-0029 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.128 CC1(C)NCCC1C(=O)O F1913-1766 [0,1,0,1,0,0|2,0,0]=4 92 B10R2.32 O=C1OCC2CNCC12 F1913-6072 [0,0,0,2,0,0|2,0,0]=4 93 B10R2.344 O=C(O)C12COCC1C2 F2147-3644 [0,0,0,2,0,0|2,0,0]=4 94 B10R2.355 O=C(O)C1NCC2CC21 F2124-1142 [0,0,0,2,0,0|0,0,0]=2 95 B8R0.9 C#CC(C)OCC(=O)O F8886-3855 [1,0,0,0,0,1|0,0,2]=4