0 B6R0.1 BrCC(=O)OCC ACS015691 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 C(C)OC(CN)=O ACS015702 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 ClCC(=O)OCC ACS015694 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 I\C=C\C(=O)OC ACS011459 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C(/C=C/C)(=O)O ACS015662 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 C(C#CC)(=O)O ACS011747 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CC(=CCBr)C ACS015684 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 COCC(=O)N ACS015711 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 C(C=CCO)O ACS015766 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.2 CCCCCC ACS015704 [1,0,0,0,0,0|0,0,3]=4 11 B5R0.3 C(NN)(=O)OC ACS011847 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.3 CNC(CCl)=O ACS012232 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 SCC(=O)OC ACS011380 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.2 COC(CC(=O)[O-])=O ACS015730 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.3 COC(CCC=O)=O ACS024542 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.5 BrC(C(=O)OCC)F ACF015692 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 ClC(C(=O)OCC)F ACF015693 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.5 FC(C(=O)OCC)F ACF024176 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.7 C(#N)CC(=O)OCC ACS015695 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.7 C(C)OC(CNC)=O ACS011391 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.7 ClCCC(CCCl)=O ACS010355 [0,1,0,0,0,0|1,0,2]=4 25 B7R1.1 C(C)C=1NC=CN1 ACS011734 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 C(C1=CC=CO1)N ACS015360 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.1 ClCC1=NNC=C1 ACS018895 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.1 O1C(=CC=C1)CO ACS015357 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.1 O1C=C(C=C1)CN ACS023978 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 O1N=C(C=C1)CN ACS023791 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.2 BrC1=CC(=NS1)C ACS023875 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.2 CC1=NNC(=C1)C ACS015339 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.2 CC1=NOC(=C1)C ACS015338 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.2 CC1=NSC(=C1)N ACS023816 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 FC1CC(CC1)=O ACF022433 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.2 IC1=NNC(=C1)C ACS020912 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.2 N1C(CCC1=O)=O ACS015391 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.2 NC1=CC(=NS1)C ACS023872 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.3 C1(C=CCCC1)=O ACS015663 [0,0,0,1,0,0|0,0,0]=1 40 B7R1.3 C1(CCCCO1)=O ACS011950 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.3 N1C(CNCC1)=O ACS024008 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.3 N1CC(OCC1)=O ACS017222 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 N1CCC(CC1)=O ACS011072 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.3 O1C(COCC1)=O ACS011667 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 S1CCC(CC1)=O ACS024121 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.4 CN1C(CCC1)=O ACS015379 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.22 BrCC(=O)C1CC1 ACS015800 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.22 C1(CC1)C(=O)OC ACS015615 [0,0,0,1,0,0|1,0,2]=4 50 B4R0.1 BrCC(=O)Cl ACS012114 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 BrCC(C)=O ACS012097 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.1 C(C=C)(=O)N ACS015634 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.1 C(CC)(=O)Cl ACS013417 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.1 ClCC(=O)O ACS015650 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 ClCC(=O)[O-] ACS015652 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 NCC(=O)[O-] ACS011283 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 C(/C=C/C)=O ACS015659 [2,0,0,0,0,0|0,0,0]=2 58 B4R0.2 C(=C)OCC ACS015700 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.2 C(=O)OCC ACS015696 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 C(CCC)=O ACS015647 [2,0,0,0,0,0|0,0,2]=4 61 B4R0.2 CCOCC ACF015760 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.2 CC(=CC(=O)O)C ACS012002 [1,1,0,0,0,0|1,0,0]=3 63 B6R0.3 O=C(C(=O)O)CC ACS023994 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.3 O=C(C(=O)[O-])CC ACS024011 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.5 C(C)OC(CC(=N)N)=O ACS015701 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.5 C(CC(=O)C)(=O)OCC ACS015689 [0,2,0,0,0,0|0,0,1]=3 67 B8R0.5 ClC(=O)CC(=O)OCC ACS011888 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.5 NC(CC(=O)OCC)=O ACS019387 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [0,2,0,0,0,0|0,0,2]=4 70 B8R0.19 ClCC(CC(=O)OC)=O ACS011413 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.23 CC(C(CC(C)=O)=O)C ACS015722 [0,2,0,0,0,0|0,0,1]=3 72 B8R0.3 C(C)OC([C@@H](N)CS)=O ACS011389 [0,2,0,0,0,0|1,0,1]=4 73 B6R1.2 C1(CCCC1)=O ACS012220 [1,0,0,1,0,0|0,0,2]=4 74 B6R1.2 CC1=CC=NN1 ACS012246 [1,0,0,1,0,0|2,0,0]=4 75 B6R1.2 CC1=CNC=C1 ACS011599 [1,0,0,1,0,0|2,0,0]=4 76 B6R1.2 CC1=CSC=C1 ACS015380 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.2 CC1=NNC=C1 ACS011560 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.2 CC=1OC=CC1 ACS015370 [1,0,0,1,0,0|0,0,2]=4 79 B6R1.2 O1NC(C=C1)=O ACS018882 [1,0,0,1,0,0|2,0,0]=4 80 B6R1.2 S1CC(CC1)=O ACS010816 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.1 O1CCCC=C1 ACS011241 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.1 CC1=CC(=CS1)C=O ACS020666 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.1 ClCC=1N=C(SC1)C ACS018765 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,1,0,1,0,0|0,0,2]=4 85 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.18 CC=1OC(OC1C)=O ACS015336 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.2 C(C)C1=CC=CC=C1 ACS015042 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.3 CC=1C=CC(NN1)=O ACS015494 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.3 FC1CCC(CC1)=O ACF021520 [0,1,0,1,0,0|0,0,2]=4 92 B8R1.3 OC1CCC(CC1)=O ACS023854 [0,1,0,1,0,0|0,0,2]=4 93 B8R1.50 ClN1C(CCC1=O)=O ACS024398 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.50 IN1C(CCC1=O)=O ACS011522 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.50 ON1C(CCC1=O)=O ACS011400 [0,1,0,1,0,0|2,0,0]=4 96 B8R2.34 C12C=CC(CC1)C2 ACS015598 [0,0,0,2,0,0|1,0,1]=4