0 B10R0.4 CCCCCCCCC(=O)O T3947 [0,0,0,0,0,0|0,0,0]=0 1 B10R0.4 NCCCCCCCC(=O)O T8102 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CC(=O)NCCCCCN T5222 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.2 CCCCCCCC(=O)O T3946 [1,0,0,0,0,0|0,0,0]=1 4 B9R0.2 CCCCC\C=C\C(=O)O T5261 [1,0,0,0,0,0|0,0,2]=3 5 B11R0.30 CC(=O)NCCCCCC(=O)O T0436 [0,1,0,0,0,0|1,0,1]=3 6 B11R0.30 O=C(O)CCCCCCC(=O)O T4734 [0,1,0,0,0,0|1,0,1]=3 7 B11R0.40 CCCCCCCCC(C)C#N T21189 [0,1,0,0,0,0|2,0,1]=4 8 B11R0.148 CCCCCCCCCC(=O)O T3379 [0,1,0,0,0,0|0,0,0]=1 9 B11R0.148 CCCCCCCCCC(=O)[O-] T21240 [0,1,0,0,0,0|0,0,1]=2 10 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,1,0,0,0,0|1,0,0]=2 11 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,1,0,0,0,0|1,0,0]=2 12 B11R0.148 CCCCCCC\C=C/C(=O)O TQ0251 [0,1,0,0,0,0|0,0,1]=2 13 B11R0.148 CCCCCCC\C=C\C(=O)O T7332 [0,1,0,0,0,0|0,0,1]=2 14 B11R0.148 N=C(N)NCCCCCCCN T11372 [0,1,0,0,0,0|3,0,0]=4 15 B11R0.176 O=C(O)CCCCC(S)CCS T21233 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.4 CCCCCCCCO T10024 [2,0,0,0,0,0|0,0,0]=2 17 B8R0.4 NCCCCCCCN T7998 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.7 NCCCCCC(=O)O T0881 [2,0,0,0,0,0|1,0,0]=3 19 B10R0.75 CCCCCCC(O)C(=O)O T7481 [1,1,0,0,0,0|0,0,0]=2 20 B10R0.75 N[C@@H](CSCCCO)C(=O)O T1481 [1,1,0,0,0,0|2,0,0]=4 21 B10R0.97 O=C(O)CCCCCC(=O)O T4795 [1,1,0,0,0,0|1,0,1]=4 22 B10R0.71 CCCCCCCCCC=O T8086 [1,1,0,0,0,0|0,0,0]=2 23 B10R0.71 CCCCCCCCCCF T21116 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.91 CCCCCC(O)\C=C\C=O T10148 [1,1,0,0,0,0|0,0,2]=4 25 B12R0.4 CCCCCCCC(O)CC(=O)O T7565 [0,2,0,0,0,0|0,0,0]=2 26 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O T11805 [0,2,0,0,0,0|1,0,1]=4 27 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O T8101 [0,2,0,0,0,0|1,0,1]=4 28 B12R0.42 C\C(N)=N/CCCC[C@H](N)C(=O)O T22914 [0,2,0,0,0,0|1,0,1]=4 29 B12R0.234 C=CCCCCCCCCC(=O)O T0306 [0,2,0,0,0,0|0,0,0]=2 30 B12R0.234 C=CCCCCCCCCC(=O)[O-] T0744 [0,2,0,0,0,0|0,0,1]=3 31 B12R0.234 CC(=O)NCCCCNCCCN T19466 [0,2,0,0,0,0|2,0,0]=4 32 B12R0.234 CCCCCCCCCCC(=O)O T3948 [0,2,0,0,0,0|0,0,0]=2 33 B12R0.234 CCCCCCCC\C=C\C(=O)O T19589 [0,2,0,0,0,0|0,0,0]=2 34 B12R0.234 O=C(O)CCCCCCCCCO TMO2685 [0,2,0,0,0,0|0,0,0]=2 35 B12R0.234 O=C(O)\C=C\CCCCCCCO T3250 [0,2,0,0,0,0|0,0,1]=3 36 B12R0.268 O=C(O)CCCCCCCC(=O)O T0926 [0,2,0,0,0,0|0,0,1]=3 37 B10R1.61 O=C(O)C1CCCCN1O T19458 [1,0,0,1,0,0|2,0,0]=4 38 B12R1.255 NC(=O)CCCCC1CCSS1 T0823 [0,1,0,1,0,0|2,0,0]=4 39 B12R1.255 O=C(O)CCCCC1CCSS1 T0200 [0,1,0,1,0,0|1,0,0]=3