0 B10R0.78 CCCCC(C)CCC(O)=O T8089 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.2 CC(=O)NCCCCCN T5222 [1,0,0,0,0,0|3,0,0]=4 2 B9R0.2 CCCCC/C=C/C(O)=O T5261 [1,0,0,0,0,0|0,0,2]=3 3 B9R0.2 CCCCCCCC(C)=O T29360 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.2 CCCCCCCC(C)O TN6692 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.2 CCCCCCCC(O)=O T3946 [1,0,0,0,0,0|0,0,0]=1 6 B9R0.2 CCCCCNCC(N)=O T24465 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.2 CCCCCNCC(N)=O T50055 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 CNCCOCCC(O)=O T16047 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 COCCOCCC(O)=O T15841 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 NCCSSCCC(O)=O T14258 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.2 NOCCCCCC(O)=O T18489 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.2 OC(=O)CCCCCC#C T17345 [1,0,0,0,0,0|0,0,2]=3 13 B11R0.59 CCOC(=O)[C@@H](N)CCC(O)=O T31709 [0,1,0,0,0,0|2,0,1]=4 14 B11R0.164 CCCCC(CC)CCC(O)=O T7456 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C TN4615 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C TN4612 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.91 NC(=N)NCC1CCCCC1 T50058 [0,0,0,1,0,0|3,0,0]=4 19 B9R0.4 NCCC[C@@H](N)CC(O)=O T29260 [0,0,0,0,1,0|2,0,0]=3 20 B8R0.7 CCCCCCC(C)=O TN6693 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.7 NCCCCCC(O)=O T0881 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.7 NCCOCCC(O)=O T14222 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.7 OC(=O)CCOCCBr T14783 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.7 OCCOCCC(O)=O T15510 [2,0,0,0,0,0|2,0,0]=4 25 B10R0.4 CC(=O)CCCCCCC=C T29489 [1,1,0,0,0,0|1,0,1]=4 26 B10R0.4 CCCCCCCCC(O)=O T3947 [1,1,0,0,0,0|0,0,0]=2 27 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,1,0,0,0,0|1,0,1]=4 28 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,1,0,0,0,0|1,0,0]=3 29 B10R0.4 NCCCCCCCC(O)=O T8102 [1,1,0,0,0,0|0,0,0]=2 30 B10R0.4 NCCOCCOCC(O)=O T15459 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.4 OCCOCCOCC(O)=O T15521 [1,1,0,0,0,0|2,0,0]=4 32 B10R0.6 CCCCCC(CC(O)=O)O T9719 [1,1,0,0,0,0|0,0,0]=2 33 B10R0.22 OP(O)(=O)CCCCCCBr T14056 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.55 COC(=O)CCCCC(O)=O T33475 [1,1,0,0,0,0|1,0,1]=4 35 B10R0.74 CCCCCCCC(=O)OC TN6890 [1,1,0,0,0,0|0,0,0]=2 36 B10R0.75 C(=O)([C@@H](N)CSCCCO)O T1481 [1,1,0,0,0,0|2,0,0]=4 37 B10R0.75 CCCCCCC(N)C(O)=O T9493 [1,1,0,0,0,0|0,0,0]=2 38 B10R0.75 CCCCCCC(O)C(O)=O T7481 [1,1,0,0,0,0|0,0,0]=2 39 B10R0.75 NCCCSC[C@H](N)C(O)=O T29988 [1,1,0,0,0,0|2,0,0]=4 40 B10R0.75 NCCC[Se]C[C@H](N)C(O)=O T34606 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.75 N[C@@H](CCSCCO)C(O)=O T34636 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.97 OC(=O)CCCCCC(O)=O T4795 [1,1,0,0,0,0|1,0,1]=4 43 B10R0.91 CCCCC[C@@H](C)CCCC T31330 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.96 CC(CCC(O)=O)CC(O)=O T5253 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.105 CSSC(C)(C)CCC(O)=O T17334 [1,1,0,0,0,0|2,0,0]=4 46 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [0,1,0,0,0,1|1,0,1]=4 47 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [0,1,0,0,0,1|1,0,1]=4 48 B12R0.55 OC(=O)CC[C@H](CCCS)C(O)=O T22497 [0,2,0,0,0,0|1,0,1]=4 49 B10R1.61 ON1CCCCC1C(O)=O T19458 [1,0,0,1,0,0|2,0,0]=4 50 B12R1.252 OC(=O)CCCC1CCCCC1 T20374 [0,0,0,1,0,1|0,0,0]=2 51 B12R1.107 C/C(=C\C(O)=O)C1CCCCC1 T27015 [0,1,0,1,0,0|0,0,2]=4 52 B12R1.3845 OCC1(CCC([O-])=O)CCCO1 T20437 [0,1,0,1,0,0|1,0,1]=4 53 B12R2.1154 CN1[C@H]2CCC[C@@H]1CC(=O)C2 T21094 [0,0,0,2,0,0|2,0,0]=4 54 B8R0.5 CCCC(C)OC(N)=O T32052 [1,0,0,0,1,0|2,0,0]=4 55 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [0,0,0,0,2,0|2,0,0]=4 56 B8R0.8 CCCCC(C)C(O)=O T8080 [0,0,0,0,2,0|0,0,0]=2 57 B8R0.8 CCCCC(O)C(O)=O T5224 [0,0,0,0,2,0|1,0,0]=3 58 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,0,0,0,2,0|1,0,0]=3 59 B8R0.8 COCCC(N)C(O)=O T33328 [0,0,0,0,2,0|2,0,0]=4 60 B8R0.8 CSCCC(N)C(O)=O TJO2742 [0,0,0,0,2,0|2,0,0]=4 61 B8R0.8 CSCCC(O)C(O)=O T20705 [0,0,0,0,2,0|2,0,0]=4 62 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [0,0,0,0,2,0|2,0,0]=4 63 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [0,0,0,0,2,0|2,0,0]=4 64 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [0,0,0,0,2,0|2,0,0]=4 65 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [0,0,0,0,2,0|2,0,0]=4 66 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [0,0,0,0,2,0|2,0,0]=4 67 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [0,0,0,0,2,0|2,0,0]=4 68 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [0,0,0,0,2,0|2,0,0]=4