0 B7R0.5 BrC(C(=O)OCC)F ACF015692 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 BrCCC(=C(F)F)F ACF024054 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.5 C(C(=O)N)(=S)OCC ACS023710 [0,0,0,0,0,0|2,1,0]=3 3 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.5 ClC(C(=O)OCC)F ACF015693 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 FC(C(=O)OCC)F ACF024176 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 BrCC(=O)OCC ACS015691 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.1 C(C)OC(CN)=O ACS015702 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 ClCC(=O)OCC ACS015694 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 C(C(C)C)(=O)OC ACS015723 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 C[C@H](C(=O)OC)O ACS010882 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.3 FC(C(=O)OC)=C ACF024253 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 O=C(C(=O)O)CC ACS023994 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.3 O=C(C(=O)[O-])CC ACS024011 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.4 ClCCCC(=O)Cl ACS013379 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.2 NC(C(C)CC)C(=O)O ACS011489 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.3 BrC(C(=O)OC)CCBr ACS015669 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.3 C(C)OC([C@@H](N)CS)=O ACS011389 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.14 FC(C(CCC)=O)(F)F ACF024217 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 CC(C(CC(C)=O)=O)C ACS015722 [0,1,0,0,0,0|1,0,2]=4 22 B8R1.5 CN1C(=NCCC1)C ACS011606 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.5 CN1C(CNCC1)=O ACS023988 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.5 FC1CNCCC1=O ACF023013 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 FC1CNCCC1=O ACF023014 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.5 FC1COCCC1=O ACF022896 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.5 F[C@@H]1CNCCC1=O ACF021609 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.5 F[C@H]1CNCCC1=O ACF023403 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.7 N1C(CCC1)C(=O)O ACS015390 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.7 O1C(CCC1)C(=O)O ACS011004 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.78 NC1(CCC1)C(=O)F ACF023482 [0,0,0,1,0,0|2,0,1]=4 34 B8R0.5 C(C)OC(CC(=N)N)=O ACS015701 [0,0,0,0,0,1|3,0,0]=4 35 B8R0.5 C(CC(=O)C)(=O)OCC ACS015689 [0,0,0,0,0,1|1,0,0]=2 36 B8R0.5 ClC(=O)CC(=O)OCC ACS011888 [0,0,0,0,0,1|2,0,0]=3 37 B8R0.5 NC(CC(=O)OCC)=O ACS019387 [0,0,0,0,0,1|2,0,0]=3 38 B8R0.5 O[C@@H](CC(=O)OCC)C ACS011594 [0,0,0,0,0,1|1,0,2]=4 39 B8R0.5 [N+](=O)([O-])CC(=O)OCC ACS015699 [0,0,0,0,0,1|3,0,0]=4 40 B5R0.1 C(/C=C/C)(=O)O ACS015662 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(=CCBr)C ACS015684 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 COCC(=O)N ACS015711 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 ClCCC(=O)O ACS015651 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 OCCC(=O)O ACS011495 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.2 CCCCCC ACS015704 [2,0,0,0,0,0|0,0,2]=4 46 B5R0.3 CNC(CCl)=O ACS012232 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.3 SCC(=O)OC ACS011380 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.5 C(C(=O)C)(=O)O ACS015732 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.5 NC(=O)C(=O)N ACS011838 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.3 COC(CCC=O)=O ACS024542 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.7 C(C)OC(CNC)=O ACS011391 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.7 ClCCC(CCCl)=O ACS010355 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.10 COC(C(N)CO)=O ACS011388 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.16 CN(C(C(C)C)=O)C ACS015751 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.4 BrCCCCC(=O)O ACS015645 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.4 C(C)(=O)OCC#CC ACS017188 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.4 C(C)OC=CC(=O)O ACS011989 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.4 CC(C=CCCC)=O ACS011915 [1,1,0,0,0,0|0,0,0]=2 60 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.23 CC(=O)CC(=O)C(=O)OC ACS015716 [0,1,0,0,0,1|1,0,1]=4 62 B9R0.34 COCC(CC(=O)OC)=O ACS011351 [0,1,0,0,0,1|1,0,0]=3 63 B9R0.35 C(C(=O)OCC)(=O)OCC ACS015670 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.7 C(CC(=O)O)C(=O)C(=O)O ACS024401 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.42 COC(CC(C(=O)O)=O)=O ACS019340 [0,2,0,0,0,0|1,0,1]=4 66 B7R1.1 C1(CCCC1)C=O ACS012176 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.2 FC1CC(CC1)=O ACF022433 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.3 C1(C=CCCC1)=O ACS015663 [1,0,0,1,0,0|0,0,1]=3 69 B7R1.3 C1(CCCCO1)=O ACS011950 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 N1C(CNCC1)=O ACS024008 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 N1CC(OCC1)=O ACS017222 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 N1CCC(CC1)=O ACS011072 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 O1C(COCC1)=O ACS011667 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 S1CCC(CC1)=O ACS024121 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.4 CN1C(CCC1)=O ACS015379 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.22 BrCC(=O)C1CC1 ACS015800 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.22 C1(CC1)C(=O)OC ACS015615 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.20 C1(CC1)CC(=O)O ACS016976 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.34 CC1CC(CC(C1)=O)=O ACS011622 [0,0,0,1,0,1|0,0,0]=2 80 B9R1.48 C1(CC(CCCC1)=O)=O ACS011955 [0,0,0,1,0,1|0,0,0]=2 81 B9R1.3 CN1C(N(CCC1)C)=O ACS011809 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.11 COC(=O)C1=CCCC1 ACS010359 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.6 C(C)(=O)N1CCNCC1 ACS015300 [0,1,0,1,0,0|2,0,0]=4