0 B9R1.8 CCCC1NCCCC1 TN3695 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [0,1,0,0,0,0|0,0,0]=1 2 B9R0.2 CC(=O)NCCCCCN T5222 [0,0,1,0,0,0|3,0,0]=4 3 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,0,1,0,0,0|0,0,2]=3 4 B9R0.2 CCCCCCCC(C)=O T29360 [0,0,1,0,0,0|1,0,0]=2 5 B9R0.2 CCCCCCCC(C)O TN6692 [0,0,1,0,0,0|1,0,1]=3 6 B9R0.2 CCCCCCCC(O)=O T3946 [0,0,1,0,0,0|0,0,0]=1 7 B9R0.2 CCCCCNCC(N)=O T24465 [0,0,1,0,0,0|2,0,0]=3 8 B9R0.2 CCCCCNCC(N)=O T50055 [0,0,1,0,0,0|2,0,0]=3 9 B9R0.2 CNCCOCCC(O)=O T16047 [0,0,1,0,0,0|2,0,0]=3 10 B9R0.2 COCCOCCC(O)=O T15841 [0,0,1,0,0,0|2,0,0]=3 11 B9R0.2 NCCSSCCC(O)=O T14258 [0,0,1,0,0,0|3,0,0]=4 12 B9R0.2 NOCCCCCC(O)=O T18489 [0,0,1,0,0,0|2,0,0]=3 13 B9R0.2 OC(=O)CCCCCC#C T17345 [0,0,1,0,0,0|0,0,2]=3 14 B8R0.7 CCCCCCC(C)=O TN6693 [1,0,1,0,0,0|1,0,0]=3 15 B8R0.7 NCCCCCC(O)=O T0881 [1,0,1,0,0,0|1,0,0]=3 16 B8R0.7 NCCOCCC(O)=O T14222 [1,0,1,0,0,0|2,0,0]=4 17 B8R0.7 OC(=O)CCOCCBr T14783 [1,0,1,0,0,0|2,0,0]=4 18 B8R0.7 OCCOCCC(O)=O T15510 [1,0,1,0,0,0|2,0,0]=4 19 B8R0.6 CCCCCC(O)CC TN1267 [1,0,1,0,0,0|1,0,1]=4 20 B8R0.5 CCCC(C)OC(N)=O T32052 [1,0,1,0,0,0|1,0,0]=3 21 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,0,1,0,0,0|1,0,0]=3 22 B8R1.4 CC1CC=CC(=O)O1 TN3177 [2,0,0,0,0,0|0,0,2]=4 23 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,1,1,0,0,0|1,0,1]=4 24 B10R0.4 CCCCCCCCC(O)=O T3947 [0,1,1,0,0,0|0,0,0]=2 25 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [0,1,1,0,0,0|1,0,1]=4 26 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,1,1,0,0,0|1,0,0]=3 27 B10R0.4 NCCCCCCCC(O)=O T8102 [0,1,1,0,0,0|0,0,0]=2 28 B10R0.4 NCCOCCOCC(O)=O T15459 [0,1,1,0,0,0|2,0,0]=4 29 B10R0.4 OCCOCCOCC(O)=O T15521 [0,1,1,0,0,0|2,0,0]=4 30 B10R0.6 CCCCCC(CC(O)=O)O T9719 [0,1,1,0,0,0|0,0,0]=2 31 B10R0.22 OP(O)(=O)CCCCCCBr T14056 [0,1,1,0,0,0|2,0,0]=4 32 B10R0.55 COC(=O)CCCCC(O)=O T33475 [0,1,1,0,0,0|1,0,1]=4 33 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,1,1,0,0,0|0,0,0]=2 34 B10R0.75 C(=O)([C@@H](N)CSCCCO)O T1481 [0,1,1,0,0,0|2,0,0]=4 35 B10R0.75 CCCCCCC(N)C(O)=O T9493 [0,1,1,0,0,0|0,0,0]=2 36 B10R0.75 CCCCCCC(O)C(O)=O T7481 [0,1,1,0,0,0|0,0,0]=2 37 B10R0.75 NCCCSC[C@H](N)C(O)=O T29988 [0,1,1,0,0,0|2,0,0]=4 38 B10R0.75 NCCC[Se]C[C@H](N)C(O)=O T34606 [0,1,1,0,0,0|2,0,0]=4 39 B10R0.75 N[C@@H](CCSCCO)C(O)=O T34636 [0,1,1,0,0,0|2,0,0]=4 40 B10R0.78 CCCCC(C)CCC(O)=O T8089 [0,1,1,0,0,0|0,0,0]=2 41 B10R0.97 OC(=O)CCCCCC(O)=O T4795 [0,1,1,0,0,0|1,0,1]=4 42 B10R0.1 CCCCCC[C@H](O)CCC T21104 [0,1,1,0,0,0|1,0,1]=4 43 B10R0.91 CCCCCC(=O)CCCC T29451 [0,1,1,0,0,0|1,0,0]=3 44 B10R0.91 CCCCC[C@H](O)CCCC T31301 [0,1,1,0,0,0|1,0,1]=4 45 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 T29893 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.149 CCC(C)N1CCCC1=O T3114 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.28 CC/C=C\CC1CCCC(=O)O1 T32266 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,2,0,0,0,0|0,0,0]=2 49 B10R1.61 ON1CCCCC1C(O)=O T19458 [0,0,1,1,0,0|2,0,0]=4 50 B10R2.71 O=C1CC2CCC(C1)N2 T1702 [1,0,0,1,0,0|2,0,0]=4 51 B12R2.1154 CN1[C@H]2CCC[C@@H]1CC(=O)C2 T21094 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.1172 O[C@]12CCO[C@H]1CC(=O)CC2 TN2388 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,0,1,0|0,0,0]=2 54 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,0,1,0|2,0,0]=4