0 B7R1.14 CC1(C)COCN1 SBB059841 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.125 CC1=NOC(C)(CN)C1 SBB027040 [0,1,0,0,0,0|2,0,1]=4 2 B9R1.133 CC1(C)OCC(CCl)O1 SBB086747 [0,1,0,0,0,0|0,0,0]=1 3 B9R1.133 CC1(C)OC[C@H](C=O)O1 SBB052344 [0,1,0,0,0,0|0,0,1]=2 4 B7R0.2 CC(C)OC(=O)CCl SBB040600 [0,0,1,0,0,0|2,0,1]=4 5 B7R0.2 CC(C)OC(=O)CS SBB061230 [0,0,1,0,0,0|1,1,1]=4 6 B7R0.2 CC(CO)CN(C)C SBB046544 [0,0,1,0,0,0|2,0,0]=3 7 B7R0.2 CCC(=O)OC(C)C SBB061101 [0,0,1,0,0,0|2,0,1]=4 8 B7R0.2 CC\C(C)=C\C(C)C SBB060471 [0,0,1,0,0,0|2,0,1]=4 9 B7R0.6 CC(C)CCC(=O)O SBB065829 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.6 CC(C)CCC(C)N SBB008544 [0,0,1,0,0,0|2,0,0]=3 11 B7R0.6 CC(C)CCC(C)O SBB061318 [0,0,1,0,0,0|1,0,0]=2 12 B7R0.6 CC(C)CNC(C)C SBB046539 [0,0,1,0,0,0|2,0,0]=3 13 B7R0.6 CC(O)C#CC(C)O SBB067653 [0,0,1,0,0,0|2,0,1]=4 14 B7R0.6 CC(O)COC(C)C SBB061008 [0,0,1,0,0,0|0,0,0]=1 15 B7R0.8 CC(C)(C)OCCO SBB060172 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.8 CCNCC(C)(C)C SBB080378 [0,0,1,0,0,0|3,0,0]=4 17 B7R0.8 CNCCC(C)(C)C SBB080385 [0,0,1,0,0,0|3,0,0]=4 18 B7R0.9 CC(=O)CC(C)(C)O SBB009084 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.9 CC(C)=CC(C)(C)C SBB060469 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.9 CC(O)CC(C)(C)N SBB084391 [0,0,1,0,0,0|3,0,0]=4 21 B7R0.9 CC(O)CC(C)(C)O SBB061336 [0,0,1,0,0,0|2,0,0]=3 22 B7R0.9 N(C(C)C)C(C)(C)C SBB006672 [0,0,1,0,0,0|2,0,0]=3 23 B9R1.66 CC1(C)CC(=O)CCO1 SBB048828 [0,0,0,0,0,1|2,0,1]=4 24 B6R0.1 CCCC(C)CO SBB061282 [1,0,1,0,0,0|1,0,0]=3 25 B6R0.1 CCNC(C)CO SBB046531 [1,0,1,0,0,0|1,0,0]=3 26 B6R0.1 CNCC(C)OC SBB049894 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.2 CC(C)CC(C)Br SBB007950 [1,0,1,0,0,0|2,0,0]=4 28 B6R0.2 CC(C)CC(C)O SBB061337 [1,0,1,0,0,0|1,0,0]=3 29 B6R0.2 CC(C)NC(C)C SBB059763 [1,0,1,0,0,0|1,0,0]=3 30 B6R0.2 CC(O)CN(C)C SBB060002 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.4 CC(C)NCCN SBB048119 [1,0,1,0,0,0|2,0,0]=4 32 B6R0.4 CC(C)NCCO SBB056428 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.4 CC(C)OCCN SBB301616 [1,0,1,0,0,0|1,0,0]=3 34 B6R0.4 CCC#CC(C)O SBB067141 [1,0,1,0,0,0|1,0,1]=4 35 B6R0.4 CCCCC(C)O SBB061290 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.4 CCCCN(C)C SBB060243 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.4 CCCOC(C)=O SBB060305 [1,0,1,0,0,0|0,0,2]=4 38 B6R0.4 CCOCC(=O)O SBB069120 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.4 CCOCC(C)O SBB061006 [1,0,1,0,0,0|0,0,0]=2 40 B6R0.5 CC#CC(C)(C)O SBB009136 [1,0,1,0,0,0|0,0,2]=4 41 B6R0.5 CC(C)(C)CCCl SBB059953 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.5 CC(C)(C)CCN SBB059532 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.5 CC(C)(C)ON=O SBB007659 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.5 CCCC(C)(C)N SBB052122 [1,0,1,0,0,0|1,0,0]=3 45 B6R0.5 CCNC(C)(C)C SBB052124 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.8 C#CC(C)(C)OC SBB014168 [1,0,1,0,0,0|0,0,2]=4 47 B6R0.8 CCC(C)(O)CC SBB060948 [1,0,1,0,0,0|2,0,0]=4 48 B6R1.2 O[C@H]1CCOC1 SBB062959 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.19 CC(CCl)OC(C)CCl SBB056536 [0,1,1,0,0,0|1,0,0]=3 50 B8R0.19 CCC(C)NC(C)CC SBB059801 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.23 CC(C)OC(C)C(=O)[O-] SBB080489 [0,1,1,0,0,0|0,0,2]=4 52 B8R0.24 CC(CO)CC(C)(C)C SBB072702 [0,1,1,0,0,0|1,0,0]=3 53 B8R0.34 CC(C)CC(C)(C)CO SBB061316 [0,1,1,0,0,0|1,0,0]=3 54 B8R0.9 CC(C)OCC(O)CN SBB010264 [0,1,1,0,0,0|0,0,0]=2 55 B8R0.9 COC(C)OCC(C)C SBB059866 [0,1,1,0,0,0|1,0,0]=3 56 B8R0.29 CC(C)CCC(C)(C)O SBB072704 [0,1,1,0,0,0|1,0,0]=3 57 B8R0.25 C#CC(C)(O)CCCC SBB002537 [0,1,1,0,0,0|1,0,1]=4 58 B8R0.25 CC(C)(CO)CCCN SBB007685 [0,1,1,0,0,0|2,0,0]=4 59 B8R0.25 CCC(C)(C)OCCO SBB061089 [0,1,1,0,0,0|2,0,0]=4 60 B8R0.25 CCCCC(C)(O)CC SBB061166 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.33 CC(C)(C)CC(C)(C)N SBB058651 [0,1,1,0,0,0|2,0,0]=4 62 B8R1.1 CCC1COC(=O)O1 SBB008625 [1,1,0,0,0,0|1,0,1]=4 63 B8R1.52 CC1(CBr)OCCO1 SBB047493 [1,1,0,0,0,0|0,0,0]=2 64 B8R1.52 CC1(CN)CCCO1 SBB015007 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.26 CCC1OCC(C)(C)CO1 SBB062857 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.63 CC1CNC(C)(C)C(=O)C1 SBB002833 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.63 CC1CNC(C)(C)C(O)C1 SBB002838 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.307 CC1(C)COCC(C)(C)N1 SBB000092 [0,1,0,0,0,1|1,0,0]=3 69 B10R1.329 CC1(C)OC(=O)CC(=O)O1 SBB071729 [0,1,0,0,0,1|1,0,1]=4 70 B10R1.329 CC1CC(N)CC(C)(C)C1 SBB013727 [0,1,0,0,0,1|2,0,0]=4 71 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,1,1,0,0|2,0,0]=4 72 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,0,1,1,0,0|2,0,0]=4 74 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,0,1,1,0,0|1,0,0]=3 75 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [0,0,1,1,0,0|2,0,0]=4 76 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,0,1,1,0,0|2,0,0]=4 77 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,0,1,1,0,0|1,0,0]=3 78 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,0,1,1,0,0|2,0,0]=4 79 B8R1.3 N1CC(C)NCC1C SBB004303 [0,0,1,1,0,0|2,0,0]=4 80 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,0,1,1,0,0|2,0,0]=4 82 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,0,1,1,0,0|2,0,0]=4 83 B8R1.35 CC(C)NCC1CC1 SBB080386 [0,0,1,1,0,0|2,0,0]=4 84 B8R1.72 CC1(C)CCOCO1 SBB060068 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,0,1,1,0,0|1,0,0]=3 86 B8R2.34 C1CC2CC1CN2 SBB013021 [1,0,0,1,0,0|2,0,0]=4 87 B8R2.34 C1OC2CNC1C2 SBB017544 [1,0,0,1,0,0|2,0,0]=4 88 B6R0.3 CC(CN)N(C)C SBB043927 [0,0,1,0,1,0|2,0,0]=4 89 B6R0.3 CCC(C)C(C)C SBB061452 [0,0,1,0,1,0|1,0,0]=3 90 B6R0.7 NC(C)C(C)(C)C SBB005830 [0,0,1,0,1,0|2,0,0]=4 91 B6R1.10 CC1(N)CCC1 SBB072407 [1,0,0,0,1,0|2,0,0]=4 92 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,0,1,0,0,1|1,0,1]=4 93 B8R0.28 CC(C)CNCC(C)C SBB058770 [0,0,1,0,0,1|2,0,0]=4 94 B8R0.28 CC(C)COCC(C)C SBB061320 [0,0,1,0,0,1|1,0,0]=3 95 B8R0.28 CC(C)COCC(C)O SBB061009 [0,0,1,0,0,1|0,0,0]=2 96 B8R0.28 CC(C)CSCC(C)C SBB061180 [0,0,1,0,0,1|1,1,0]=4 97 B8R0.28 CC(O)CNCC(C)O SBB058768 [0,0,1,0,0,1|2,0,0]=4