0 B9R0.6 CCOC(=O)C(=O)N(C)C SBB008387 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.6 CCOC(=O)C(Br)C(C)C SBB005789 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.6 CCOC(=O)C(C)C(C)=O SBB060347 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.6 CCOC(=O)C(Cl)C(C)=O SBB040841 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.6 CCOC(=O)[C@@H](N)C(C)C SBB054134 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.2 COC(=O)C(N)C(C)C SBB003876 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.2 COC(=O)[C@@H](N)C(C)C SBB302661 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.3 CCOC(=O)C(=O)CBr SBB054095 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.3 CCOC(=O)C(Cl)C=O SBB054117 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.3 CCOC(=O)C(N)CC SBB072718 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [1,0,0,0,0,0|1,1,0]=3 13 B8R0.3 CCOC(=O)\C(Cl)=N\O SBB009890 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.3 CCOC(=O)\C(N)=N/O SBB085806 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.5 CCCC(=O)OC(C)C SBB061106 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.5 CCOC(=O)CC(=N)N SBB010259 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.5 CCOC(=O)CC(=O)Cl SBB056440 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.5 CCOC(=O)CC(C)=O SBB040867 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.5 CCOC(=O)CC(C)C SBB061114 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.5 CCOC(=O)CC(C)N SBB108871 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.5 CCOC(=O)\C=C(\C)N SBB028236 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.101 CCOC(=O)C(C#N)C(C)=O SBB007825 [0,1,0,0,0,0|0,0,3]=4 24 B10R0.101 CCOC(=O)C(CC)C(C)=O SBB079228 [0,1,0,0,0,0|0,0,2]=3 25 B10R1.22 CC1CC(O)C(C)N(C)C1 SBB002864 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.61 CC(=O)C1CCCCC1=O SBB056190 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.61 O=C(O)C1CCCNC1=O SBB108817 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.291 CC(=O)C1(C)CCOC1=O SBB048120 [0,0,0,1,0,0|0,0,2]=3 29 B10R0.26 CCOC(=O)\C=C(\C)C(C)F SBB087448 [0,0,0,0,0,1|1,0,1]=3 30 B10R0.32 CCOC(=O)C(N)CC(C)C SBB048376 [0,0,0,0,0,1|2,0,0]=3 31 B7R0.2 CC(O)CC(=O)NN SBB072890 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.2 CCC(=O)OC(C)C SBB061101 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.2 COC(=O)CC(C)=O SBB060889 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.5 C=C(C)C(=O)OCC SBB061402 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.5 CCCC(=O)N(C)C SBB008345 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CCCC(C)C(C)O SBB061491 [2,0,0,0,0,0|0,0,1]=3 37 B7R0.5 CCOC(=O)C(C)Br SBB058608 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 CCOC(=O)C(C)C SBB060711 [2,0,0,0,0,0|0,0,0]=2 39 B7R0.5 CCOC(=O)C(C)N SBB004040 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 CCOC(=O)C(F)Br SBB070746 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.5 CCOC(=O)C(F)I SBB097841 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.10 CCC(Br)C(=O)OC SBB070737 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.10 COC(=O)C(N)CO SBB004026 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.10 COC(=O)C(N)CS SBB054105 [2,0,0,0,0,0|1,1,0]=4 45 B7R0.16 CC(C(=O)O)N(C)C SBB046579 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.16 CC(C)[C@@H](N)C(=O)O SBB006709 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.16 CC(C)[C@@H](O)C(=O)O SBB053572 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.16 CC(C)[C@H](Br)C(=O)O SBB065818 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.16 CC(O)C(N)C(=O)O SBB061654 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 CC#CC(=O)OCC SBB069554 [2,0,0,0,0,0|0,0,2]=4 51 B7R0.7 CCCC(=O)CCC SBB060386 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCNC(=O)NCC SBB058550 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.7 CCOC(=O)CC#N SBB040821 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.7 CCOC(=O)CCBr SBB070739 [2,0,0,0,0,0|1,0,0]=3 55 B7R0.7 CCOC(=O)CCN SBB004038 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.7 CCOC(=O)CNN SBB021976 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.7 CCOC(=O)CNN SBB054137 [2,0,0,0,0,0|2,0,0]=4 58 B7R0.7 CCOC(=O)OCC SBB060086 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.7 CCOS(=O)OCC SBB060108 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.7 C\C=C\C(=O)OCC SBB061219 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.7 N(C)CC(=O)OCC SBB004039 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.7 P(=O)(OCC)OCC SBB056825 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CCCOCC(C)O SBB061007 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SBB010304 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.19 CCOC(=O)C(C)(C)C#N SBB050264 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.19 CCOC(=O)C(C)(C)CCl SBB087854 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.35 CCCC(=O)C(O)CCC SBB008396 [1,1,0,0,0,0|2,0,0]=4 68 B9R0.35 CCOC(=O)C(=O)OCC SBB040948 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.35 CCOC(=O)C(C)N=C=O SBB048880 [1,1,0,0,0,0|0,0,2]=4 70 B9R0.35 CCOC(=O)C(C)N=C=S SBB050954 [1,1,0,0,0,0|0,1,1]=4 71 B9R0.37 CCCC(=O)N(CC)CC SBB008344 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.34 CCOC(=O)CC(=O)CCl SBB040868 [1,1,0,0,0,0|0,0,2]=4 73 B9R0.34 CCOC(=O)CC(C)NC SBB046551 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.34 CCOC(=O)C[C@H](O)CCl SBB070707 [1,1,0,0,0,0|0,0,0]=2 75 B9R0.44 CCOC(=O)CC(C)(C)C SBB116857 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.44 CCOC(=O)CC(F)(F)F SBB087112 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.44 CCOC(=O)CS(C)(=O)=O SBB059048 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.53 CC(=O)CC(=O)OC(C)C SBB061713 [1,1,0,0,0,0|0,0,2]=4 79 B11R0.54 CCOC(=O)CC(C)C(F)(F)F SBB090132 [0,1,0,0,0,1|2,0,0]=4 80 B11R0.186 CCOC(=O)C(C)CC(F)(F)F SBB090133 [0,1,0,0,0,1|2,0,0]=4 81 B11R0.57 C=CCC(C(C)=O)C(=O)OCC SBB047650 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.57 CCOC(=O)C(N=C=O)C(C)C SBB048885 [0,2,0,0,0,0|1,0,1]=4 83 B9R1.41 CC(=O)C1CCOC1=O SBB040834 [1,0,0,1,0,0|0,0,2]=4 84 B9R1.138 CC1(C)COC(=O)C1O SBB055782 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.138 CC1(C)COC(=O)[C@@H]1O SBB017517 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.5 CN1CCCCCC1=O SBB056535 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.5 NC1CCCCNC1=O SBB056282 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.15 CCC1CCCOC1=O SBB061552 [1,0,0,1,0,0|0,0,0]=2 89 B9R1.15 CCC1NCCNC1=O SBB010255 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.15 COC1CCCNC1=O SBB056098 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.15 O=C1CCCCC1CO SBB054864 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.73 CCOC(=O)C1CCC1 SBB059126 [1,0,0,1,0,0|0,0,0]=2 93 B9R1.34 CC1=CC(O)CC(=O)O1 SBB055955 [1,0,0,1,0,0|0,0,2]=4 94 B9R1.34 CC1CC(=O)CC(C)O1 SBB056218 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.15 CCOC(=O)C1CC(O)CN1 SBB010410 [0,0,0,1,0,1|1,0,0]=3 96 B11R1.15 N1C(=O)CC[C@@H]1C(=O)OCC SBB017510 [0,0,0,1,0,1|0,0,2]=4 97 B11R1.15 N1C(=O)CC[C@H]1C(=O)OCC SBB017516 [0,0,0,1,0,1|0,0,2]=4 98 B11R1.645 CC(O)CN1CC(C)OC1=O SBB051454 [0,0,0,1,0,1|1,0,0]=3 99 B11R1.199 CCOC(=O)C1CCCC1=O SBB048123 [0,1,0,1,0,0|0,0,2]=4 100 B9R0.48 CCCC(=O)OCC(C)C SBB061108 [1,0,0,0,0,1|2,0,0]=4 101 B9R0.48 CCOC(=O)CNC(C)=O SBB061661 [1,0,0,0,0,1|0,0,2]=4