0 B7R0.3 COC(CCC=O)=O ACS024542 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 BrCC(=O)OCC ACS015691 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.1 C(/C=C/C)(=O)OC ACS015752 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.1 C(C)OC(CN)=O ACS015702 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.1 ClCC(=O)OCC ACS015694 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.4 ClCCCC(=O)Cl ACS013379 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 BrCCCCCBr ACS015667 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 BrC(CCC)CCCC ACS024467 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.1 N(=C=O)CC(=O)OCC ACS014110 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.3 BrC(C(=O)OC)CCBr ACS015669 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.6 C(C(CCCCO)O)O ACS015703 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.19 ClCC(CC(=O)OC)=O ACS011413 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.2 BrCC1CCCCC1 ACS010448 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.2 C(C)N1CCNCC1 ACS011154 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 C(C)[C@H]1NCCOC1 ACS011819 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.2 C1(CCCCC1)CN ACS011969 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 C1(CCCCC1)CO ACS010446 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 FCC1NCCCC1 ACF021381 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 FC[C@@H]1NCCCC1 ACF021383 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 FC[C@H]1NCCCC1 ACF021382 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.3 FC1CCC(CC1)=O ACF021520 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.3 FC1CCC(CC1)N ACF022176 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 FC1CCC(CC1)O ACF022280 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.3 N[C@@H]1CC[C@H](CC1)N ACS015776 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.3 N[C@H]1CC[C@H](CC1)O ACS012088 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.3 OC1CCC(CC1)=O ACS023854 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.3 [C@H]1(CC[C@@H](CC1)N)N ACS011676 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.5 CN1C(=NCCC1)C ACS011606 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 CN1C(CNCC1)=O ACS023988 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.5 FC1CNCCC1=O ACF023013 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 FC1CNCCC1=O ACF023014 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.5 FC1COCCC1=O ACF022896 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 F[C@@H]1CNCCC1=O ACF021609 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.5 F[C@H]1CNCCC1=O ACF023403 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 N[C@@H]1[C@@H](CCCC1)O ACS011637 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.5 N[C@@H]1[C@H](CCCC1)O ACS011845 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.13 FC1C(CC1)CNC ACF023538 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.22 C1CCNC[C@@H](C1)N ACS023752 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.22 FC1CCNCCC1 ACF021025 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.22 FC1CCNCCC1 ACF021026 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.38 FC(CC)C1CNC1 ACF023602 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.52 FC1(CCCC1)CO ACF020873 [0,0,0,1,0,0|2,0,1]=4 44 B5R0.1 COCC(=O)N ACS015711 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 ClCCC(=O)O ACS015651 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 OCCC(=O)O ACS011495 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 BrCCCCBr ACS015666 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 BrCCCOC ACS011423 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 CCCCCC ACS015704 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.2 COCCOC ACS015683 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 CNC(CCl)=O ACS012232 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 SCC(=O)OC ACS011380 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.2 C(CC(=O)C)(=O)OC ACS015718 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.5 BrC(C(=O)OCC)F ACF015692 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.5 CC(C(CC#N)=O)C ACS015725 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.5 ClC(C(=O)OCC)F ACF015693 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.5 FC(C(=O)OCC)F ACF024176 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.7 C(#N)CC(=O)OCC ACS015695 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.7 C(C)OC(CNC)=O ACS011391 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.7 ClCCC(CCCl)=O ACS010355 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.10 COC(C(N)CO)=O ACS011388 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.4 BrCCCCC(=O)O ACS015645 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 C(C)(=O)OCC#CC ACS017188 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.4 CC(C=CCCC)=O ACS011915 [1,1,0,0,0,0|0,0,1]=3 66 B7R0.4 ClCCOCC(=O)O ACS023943 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.6 C(CCC(C)C)(=O)Cl ACS011947 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.1 BrCCCCCCBr ACS010553 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.5 C(C)OC=CC(=O)OCC ACS011523 [0,2,0,0,0,0|0,0,2]=4 70 B9R0.34 COCC(CC(=O)OC)=O ACS011351 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.35 C(C(=O)OCC)(=O)OCC ACS015670 [0,2,0,0,0,0|1,0,1]=4 72 B9R0.35 C(C)OC(C(OCC)Cl)=O ACS015773 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.48 C(C)OC(CCC(C)Cl)=O ACS024478 [0,2,0,0,0,0|0,0,0]=2 74 B9R0.48 [N+](=O)([O-])CCC(=O)OCC ACS019127 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.6 CCOC(=O)C(=O)C(C)C ACS015698 [0,2,0,0,0,0|1,0,1]=4 76 B9R0.23 COC(C(CC(C)C)=O)=O ACS023857 [0,2,0,0,0,0|1,0,1]=4 77 B9R0.42 COC(CC(C(C)C)=O)=O ACS024434 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.21 FC(CCC(=O)OC)(F)F ACF024174 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.2 FC1CC(CC1)=O ACF022433 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.3 C1(C=CCCC1)=O ACS015663 [1,0,0,1,0,0|0,0,2]=4 81 B7R1.3 C1(CCCCO1)=O ACS011950 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.3 C=C1CCNCC1 ACS023714 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.3 N1C(CNCC1)=O ACS024008 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.3 N1CC(OCC1)=O ACS017222 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 N1CCC(CC1)=O ACS011072 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.3 O1C(COCC1)=O ACS011667 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 S1CCC(CC1)=O ACS024121 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.4 CN1C(CCC1)=O ACS015379 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.22 BrCC(=O)C1CC1 ACS015800 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.22 C1(CC1)C(=O)OC ACS015615 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.12 FC1C(C1)C(=O)O ACF021646 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021647 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.12 F[C@H]1[C@@H](C1)C(=O)O ACF021648 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.12 F[C@H]1[C@H](C1)C(=O)O ACF012314 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.20 C1(CC1)CC(=O)O ACS016976 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.24 C1CNCCOC1 ACS024038 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.24 N1CCOCCC1 ACS023784 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.15 COC1C(NCCC1)=O ACS023717 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.48 C1(CC(CCCC1)=O)=O ACS011955 [0,1,0,1,0,0|0,0,1]=3 101 B9R1.73 C1(CCC1)C(=O)OCC ACS015616 [0,1,0,1,0,0|0,0,0]=2 102 B9R1.3 CN1C(N(CCC1)C)=O ACS011809 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.11 COC(=O)C1=CCCC1 ACS010359 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.11 N1C[C@@H](CC1)C(=O)OC ACF021042 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.11 N1C[C@H](CC1)C(=O)OC ACF021041 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.82 O=C1CC(C1)C(=O)OC ACS015594 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.186 FC1(CNC1)C(=O)OC ACF022938 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.186 FC1(CNC1)C(=O)OC ACF022939 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.1 OCC1CCC(CC1)=O ACS023829 [0,1,0,1,0,0|0,0,0]=2 110 B9R1.79 N1CC(C1)CC(=O)OC ACF021076 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.81 N[C@@H]1[C@@H](CC1)C(=O)OC ACF021328 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.40 FC1(CNCCC1=O)F ACF023015 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.40 FC1(CNCCC1=O)F ACF023017 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.10 FC1(CCC(CC1)=C)F ACF021818 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.10 FC1(CCC(CC1)=O)F ACF022785 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.10 FC1(CCC(CC1)N)C ACF021748 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.10 FC1(CCC(NC1)=O)F ACF023364 [0,1,0,1,0,0|2,0,0]=4