0 B6R0.1 BrCC(=O)OCC ACS015691 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C(C)OC(CN)=O ACS015702 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 ClCC(=O)OCC ACS015694 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 F[C@H](CN)COC ACF022189 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.1 I\C=C\C(=O)OC ACS011459 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C(#N)CC(=O)O ACS015661 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C(/C=C/C)(=O)O ACS015662 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C(C#CC)(=O)O ACS011747 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 COCC(=O)N ACS015711 [1,0,0,0,0,0|1,1,0]=3 10 B5R0.1 ClCCC(=O)O ACS015651 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 OCCC(=O)O ACS011495 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.2 BrCCCOC ACS011423 [1,0,0,0,0,0|1,1,1]=4 13 B5R0.2 CCCCCC ACS015704 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.2 COCCOC ACS015683 [1,0,0,0,0,0|1,1,1]=4 15 B5R0.3 C(NN)(=O)OC ACS011847 [1,0,0,0,0,0|2,1,0]=4 16 B5R0.3 CNC(CCl)=O ACS012232 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.3 NC(CO)CC ACS011654 [1,0,0,0,0,0|1,1,1]=4 18 B5R0.3 SCC(=O)OC ACS011380 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.2 COC(CC(=O)[O-])=O ACS015730 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.2 [N+](=O)([O-])CC(=O)OC ACS015724 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.3 COC(CCC=O)=O ACS024542 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.5 BrC(C(=O)OCC)F ACF015692 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.5 ClC(C(=O)OCC)F ACF015693 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.5 FC(C(=O)OCC)F ACF024176 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.7 C(#N)CC(=O)OCC ACS015695 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.7 C(C)OC(CNC)=O ACS011391 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.7 ClCCC(CCCl)=O ACS010355 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.10 COC(C(N)CO)=O ACS011388 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 CN1CC(CC1)O ACS024240 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.2 CN1C[C@@H](CC1)O ACS011600 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.2 FC1CC(CC1)=O ACF022433 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.2 N1C(CCC1=O)=O ACS015391 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 C1(C=CCCC1)=O ACS015663 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.3 C1(CCCCO1)=O ACS011950 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 C=C1CCNCC1 ACS023714 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.3 FC1CNCCC1 ACF021031 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 F[C@@H]1CNCCC1 ACF021039 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.3 F[C@H]1CNCCC1 ACF021040 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 N1C(CNCC1)=O ACS024008 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 N1CC(OCC1)=O ACS017222 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.3 N1CCC(CC1)=O ACS011072 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.3 N[C@@H]1CNCCC1 ACS011446 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 N[C@H]1CNCCC1 ACS010429 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 O1C(COCC1)=O ACS011667 [0,0,0,1,0,0|1,1,0]=3 48 B7R1.3 O[C@H]1CNCCC1 ACS011433 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.3 S1CCC(CC1)=O ACS024121 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.4 CN1C(CCC1)=O ACS015379 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.22 BrCC(=O)C1CC1 ACS015800 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.22 C1(CC1)C(=O)OC ACS015615 [0,0,0,1,0,0|2,0,0]=3 56 B4R0.1 BrCC(=O)Cl ACS012114 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 BrCC(C)=O ACS012097 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 C(CC)(=O)Cl ACS013417 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.1 ClCC(=O)O ACS015650 [2,0,0,0,0,0|1,1,0]=4 60 B4R0.1 ClCC(=O)[O-] ACS015652 [2,0,0,0,0,0|1,1,0]=4 61 B4R0.1 NCC(=O)[O-] ACS011283 [2,0,0,0,0,0|1,1,0]=4 62 B4R0.2 C(/C=C/C)=O ACS015659 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|1,0,0]=3 65 B4R0.2 C(CCC)O ACS015648 [2,0,0,0,0,0|0,1,1]=4 66 B4R0.2 CCOCC ACF015760 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.4 ClCCCC(=O)Cl ACS013379 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.8 BrC(CC)(CC)C ACS024476 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.9 C(C)[SiH](CC)CC ACS015746 [1,1,0,0,0,0|1,1,0]=4 70 B6R0.9 CCC(CC)NC ACS024014 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.5 C(C)OC(CC(=N)N)=O ACS015701 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.5 C(CC(=O)C)(=O)OCC ACS015689 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.5 ClC(=O)CC(=O)OCC ACS011888 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.5 NC(CC(=O)OCC)=O ACS019387 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [0,2,0,0,0,0|1,0,0]=3 76 B8R0.5 [N+](=O)([O-])CC(=O)OCC ACS015699 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.19 ClCC(CC(=O)OC)=O ACS011413 [0,2,0,0,0,0|1,1,0]=4 78 B8R0.23 CC(C(CC(C)=O)=O)C ACS015722 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.1 N(=C=O)CC(=O)OCC ACS014110 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.3 BrC(C(=O)OC)CCBr ACS015669 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.3 C(C)OC([C@@H](N)CS)=O ACS011389 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.14 C(C(C)(C)C)(=O)CC#N ACS017187 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.14 FC(C(CCC)=O)(F)F ACF024217 [0,2,0,0,0,0|2,0,0]=4 84 B6R1.2 C1(CCCC1)=O ACS012220 [1,0,0,1,0,0|1,0,0]=3 85 B6R1.2 S1CC(CC1)=O ACS010816 [1,0,0,1,0,0|0,0,0]=2 86 B6R1.5 FC1CC(C1)=O ACF021232 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.11 C1(CC1)C(=O)Cl ACS016497 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.11 C1(CC1)C(=O)N ACS014088 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.1 C1CCCCC1 ACS015629 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.1 N1CCCCC1 ACS015386 [1,0,0,1,0,0|1,0,1]=4 91 B6R1.1 N1CCSCC1 ACS011722 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.1 O1CCCC=C1 ACS011241 [1,0,0,1,0,0|0,1,1]=4 93 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.51 FC1(CC(CC1)=O)F ACF022429 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.2 C1(CCCCC1)C=O ACS010444 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.2 O1CC(CCC1)C=O ACS018957 [0,1,0,1,0,0|0,1,1]=4 100 B8R1.3 FC1CCC(CC1)=O ACF021520 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.3 OC1CCC(CC1)=O ACS023854 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.5 CN1C(CNCC1)=O ACS023988 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.5 FC1CNCCC1=O ACF023013 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.5 FC1CNCCC1=O ACF023014 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.5 FC1COCCC1=O ACF022896 [0,1,0,1,0,0|1,1,0]=4 106 B8R1.5 F[C@@H]1CNCCC1=O ACF021609 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,1,0,1,0,0|1,1,0]=4 108 B8R1.5 F[C@H]1CNCCC1=O ACF023403 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,1,0,1,0,0|1,1,0]=4 110 B8R1.37 C1(CC1)C(CC#N)=O ACS012041 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.39 BrC1(CC1)C(=O)OC ACS012402 [0,1,0,1,0,0|2,0,0]=4