0 B7R0.3 CO/C=C/C(=O)OC TN6402 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 COC(=O)CCCN T22364 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 NCC(=O)O[Ru]Cl T6454 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 CCOCC(O)=O T37501 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.4 COCCC(O)=O T20899 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.4 CSCCC(O)=O T5285 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 NCCCC(O)=O T0508 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 CCC/C=C/C=O T8099 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.6 CCCCCCO TN6891 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 NCCOCCN T14009 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 OCCOCCBr T14787 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 OCCOCCO T21019 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.6 CCCCCC(O)CC TN1267 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,1,0,0,0,0|0,0,1]=2 17 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.25 CCP(O)(=O)CCCN T22647 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.1 CCC1CCC(=O)O1 T8098 [0,0,0,1,0,0|0,0,0]=1 21 B8R1.1 COC1CCC(=O)N1 TN4855 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.5 NC1CCCNC1=O T13495 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,0]=2 28 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 CCCSSC T39668 [2,0,0,0,0,0|1,1,0]=4 33 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.5 CCCC(=O)C(O)=O T13484 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|0,0,1]=3 36 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|0,0,0]=2 37 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.4 NCCCCC(O)=O T5089 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.4 OC(=O)COCCBr T14786 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.6 CC(C)CCC(O)=O T19138 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.8 CP([O-])(=O)OCCN T26380 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.1 CCCCCCCO TN6893 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.1 CCCSSCCC TN6758 [1,1,0,0,0,0|0,1,1]=4 44 B7R0.1 CNCCOCCO T32120 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.1 COCCOCCBr T18161 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.1 COCCOCCN T15842 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.18 OCCCC(=O)NCCO T31724 [0,2,0,0,0,0|2,0,0]=4 48 B9R0.23 COC(=O)C(O)CC(C)C T9509 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.46 COC(=O)CCOCCO T15511 [0,2,0,0,0,0|2,0,0]=4 50 B9R0.47 CCCCOC(=O)C(Cl)Cl T30633 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.7 CC(O)CNC(=O)C(C)=C T12137 [0,2,0,0,0,0|1,0,1]=4 52 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,1,0,0|0,0,2]=4 53 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 NN1CCCCC1 T0533 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2 57 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,2]=4 59 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|1,0,0]=3 61 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|1,1,0]=4 62 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,1,0]=4 63 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.106 C[C@@]1(O)[C@H](O)COC1=O TN2750 [0,1,0,1,0,0|1,0,0]=3 65 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|1,0,0]=3 67 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,0]=3