0 B5R0.5 CC(=O)C(C)N F1967-1159 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.5 CC(=O)C(N)=S F8881-3127 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 NC(=S)C(F)F F1913-0021 [0,0,0,0,0,0|3,1,0]=4 3 B4R0.1 C=CC(C)N F8888-5527 [1,0,0,0,0,0|1,0,0]=2 4 B4R0.1 CC(F)CBr F2147-5481 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 CC(C)C(F)CO F2147-5504 [0,1,0,0,0,0|2,0,1]=4 6 B6R0.3 CC(C)C(O)CN F2189-0861 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.3 CC(CN)C(F)F F1913-1889 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.3 CCC(F)C(=O)O F2147-5487 [0,1,0,0,0,0|1,0,0]=2 9 B6R0.3 CNC(C)C(F)F F8887-0584 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 N\C(=N/O)C(F)F F1913-1032 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.7 CC(C)(F)C(=O)Cl F1913-0626 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.7 CC(C)(N)C(F)F F8887-5611 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.7 CC(C)(N)C(F)F F8888-4497 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.4 CC1CCC1N F1905-7397 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.4 NC1CCC1F F1910-8275 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.4 O[C@H]1CC[C@@H]1F F1910-7593 [0,0,0,1,0,0|2,0,1]=4 17 B6R0.2 CC(N)CC(F)F F1913-0362 [0,0,0,0,0,1|2,0,1]=4 18 B5R0.1 C=CCC(C)N F8887-6904 [1,1,0,0,0,0|1,0,0]=3 19 B5R0.1 CC(C)=CCN F8888-0116 [1,1,0,0,0,0|2,0,0]=4 20 B5R0.1 CC(C)=CCN F8888-1877 [1,1,0,0,0,0|2,0,0]=4 21 B5R0.1 CNCC(C)N F8889-7014 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.1 N#CCC(=O)Cl F8889-2769 [1,1,0,0,0,0|1,0,1]=4 23 B5R0.3 C#CC(C)CN F1913-0989 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.3 C#CC(C)CN F1913-0990 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.3 C#CC(C)CO F1913-6725 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.3 C#CC(N)CC F8888-1692 [1,1,0,0,0,0|1,0,1]=4 27 B5R0.3 C#CC(N)CO F2147-3893 [1,1,0,0,0,0|0,0,2]=4 28 B5R0.3 C#CC(O)CN F1913-5784 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.3 CCC(F)CO F2147-5488 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.3 COC(C)CN F1913-7619 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.3 NCC(F)CO F1913-7397 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.3 NCC(F)CO F1913-7398 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.4 CC(C)(N)CCl F2185-0715 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.4 CC(C)(N)CF F8881-0807 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.4 CC(C)(N)CF F8888-2347 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.2 C#CC(C)CC(=O)O F1913-0982 [0,1,0,0,0,1|1,0,0]=3 37 B7R0.2 C=CC(=O)CC(C)C F8884-0575 [0,1,0,0,0,1|2,0,0]=4 38 B7R0.2 CC(C)CC(=O)CCl F8880-2290 [0,1,0,0,0,1|2,0,0]=4 39 B7R0.16 CC(C(=O)O)C(F)F F1913-6649 [0,1,0,0,0,1|2,0,0]=4 40 B7R0.16 CC(C)C(F)C(=O)O F8889-5916 [0,1,0,0,0,1|1,0,0]=3 41 B7R0.5 CCSC(F)C(=O)O F8884-4602 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.5 CNCC(C)[N+](=O)[O-] F1904-0189 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.5 N#CCC(F)C(=O)O F2147-5599 [0,2,0,0,0,0|1,0,0]=3 44 B7R0.5 NC(CCF)C(=O)O F1913-7468 [0,2,0,0,0,0|0,0,0]=2 45 B7R0.5 O=C(O)\C(Br)=C\CO F1913-6627 [0,2,0,0,0,0|1,0,1]=4 46 B7R0.5 O=C(O)\C(F)=C\CO F1913-6626 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.13 C#CC(C)(C)C(C)=O F1913-5850 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.13 COC(C)(C)C(=O)Cl F1913-7579 [0,2,0,0,0,0|2,0,0]=4 49 B7R0.14 CC(C)(N)C(O)CO F1913-0528 [0,2,0,0,0,0|0,0,2]=4 50 B7R0.15 CCC(OC)C(N)=O F3310-0230 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.15 COC(CN)C(=O)O F8888-0400 [0,2,0,0,0,0|0,0,0]=2 52 B5R1.2 C=C1CNC1 F2167-4361 [1,0,0,1,0,0|2,0,0]=4 53 B5R1.2 C=C1CNC1 F8884-6681 [1,0,0,1,0,0|2,0,0]=4 54 B5R1.2 CC1CCN1 F8881-4978 [1,0,0,1,0,0|1,0,1]=4 55 B5R1.4 N[C@@H]1C[C@@H]1O F1913-1714 [1,0,0,1,0,0|0,0,1]=3 56 B5R1.4 N[C@@H]1C[C@H]1N F1913-6666 [1,0,0,1,0,0|1,0,1]=4 57 B5R1.4 N[C@H]1C[C@@H]1O F1913-1706 [1,0,0,1,0,0|0,0,1]=3 58 B7R1.2 CC1CC(=O)CS1 F2147-2203 [0,0,0,1,0,1|2,0,0]=4 59 B7R1.2 CC1CC(O)CN1 F8889-6343 [0,0,0,1,0,1|1,0,1]=4 60 B7R1.16 CC1(C)CC(=O)C1 F8887-6300 [0,0,0,1,0,1|2,0,0]=4 61 B7R1.16 NC1CS(=O)(=O)C1 F8880-5831 [0,0,0,1,0,1|1,0,1]=4 62 B7R1.16 NC1CS(=O)(=O)C1 F8888-0127 [0,0,0,1,0,1|1,0,1]=4 63 B7R1.20 O=C(O)C=C1CC1 F8880-6304 [0,0,0,1,0,1|1,0,1]=4 64 B7R1.4 CC1COCC1=O F2167-8874 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.4 NC1CCOC1F F1967-9927 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.4 NC1COCC1F F2147-4347 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.4 N[C@@H]1COC[C@H]1F F1912-2891 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.4 O=C1CCCC1O F8888-4387 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.4 O=C1NCCC1F F2147-8443 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.8 CN[C@@H]1CC[C@H]1O F6619-0597 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.8 O\N=C1\CCC1F F1910-8450 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.17 CC1(C)CCC1=O F1913-7364 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.17 C[C@]1(O)CC[C@@H]1N F1910-7847 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.18 O=C(O)C1=CCC1 F8889-7863 [0,1,0,1,0,0|1,0,1]=4 75 B7R1.22 NCC(=O)C1CC1 F8888-2121 [0,1,0,1,0,0|2,0,0]=4 76 B7R0.6 CC(=O)OCC(C)C F0001-0218 [0,0,0,0,0,2|2,0,0]=4 77 B7R0.6 O=C(O)CCC(F)F F8880-4978 [0,0,0,0,0,2|2,0,0]=4 78 B7R0.6 O=C(O)COC(F)F F8888-1299 [0,0,0,0,0,2|2,0,0]=4 79 B7R0.6 O=C(O)\C=C\C(F)F F1913-6630 [0,0,0,0,0,2|2,0,0]=4