0 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 COCCOCCOCC(=O)O 31987 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.4 C=CCCCCCCC(=O)O 27146 [1,0,0,0,0,0|1,0,2]=4 4 B10R0.4 CCCCCCCCB(O)O 29487 [1,0,0,0,0,0|2,0,1]=4 5 B10R0.4 CCCCCCCCN(C)C 35306 [1,0,0,0,0,0|2,0,0]=3 6 B10R0.4 NCCCCCCCC(=O)O 13165 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.71 BrCCCCCCCCCBr 3900 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.71 CCCCCCCCCCBr 2457 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.71 CCCCCCCCCCI 3942 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.71 ICCCCCCCCCI 3850 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 OCCCCCCCCCBr 23429 [1,0,0,0,0,0|1,0,2]=4 12 B12R0.4 CCCCCCCC(O)CC(=O)O 35410 [0,1,0,0,0,0|1,0,0]=2 13 B12R0.234 CCCCCCCCCCB(O)O 26286 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.234 O=C(O)CCCCCCCCCO 25651 [0,1,0,0,0,0|1,0,0]=2 15 B12R0.248 CCCCCCCCOC(=O)CN 12487 [0,1,0,0,0,0|1,0,0]=2 16 B12R0.248 COC(=O)CCCCCCCCO 18968 [0,1,0,0,0,0|1,0,0]=2 17 B12R0.248 OCCCCCCCCC(O)CO 32259 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.252 O=C(O)CCCC1CCCCC1 15521 [0,0,0,1,0,0|1,0,0]=2 19 B12R1.255 O=C(O)CCCCC1CCSS1 14559 [0,0,0,1,0,0|3,0,0]=4 20 B12R1.255 O=C(O)CCCCC1CCSS1 6068 [0,0,0,1,0,0|3,0,0]=4 21 B9R0.2 CC(=O)OCCCCCCl 3676 [2,0,0,0,0,0|2,0,0]=4 22 B9R0.2 CCCCCCCC(=O)[O-] 12870 [2,0,0,0,0,0|1,0,0]=3 23 B9R0.45 BrCCCCCCCCBr 3905 [2,0,0,0,0,0|2,0,0]=4 24 B9R0.45 CCCCCCCCCBr 3809 [2,0,0,0,0,0|1,0,0]=3 25 B9R0.45 CCCCCCCCCI 3958 [2,0,0,0,0,0|1,0,0]=3 26 B9R0.45 ICCCCCCCCI 3851 [2,0,0,0,0,0|2,0,0]=4 27 B9R0.45 OCCCCCCCCO 36148 [2,0,0,0,0,0|1,0,1]=4 28 B11R0.40 CCCCCCCCC(O)CO 12680 [1,1,0,0,0,0|0,0,2]=4 29 B11R0.46 CCCCOC(=O)CCC(C)=O 11224 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.147 CCCCC(O)CCCC(=O)O 9714 [1,1,0,0,0,0|1,0,0]=3 31 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 25501 [1,1,0,0,0,0|2,0,0]=4 32 B11R0.3 BrCCCCCCCCCCBr 3873 [1,1,0,0,0,0|1,0,1]=4 33 B11R0.3 CCCCCCCCCCCBr 3840 [1,1,0,0,0,0|0,0,1]=3 34 B11R0.3 CCCCCCCCCCCO 35937 [1,1,0,0,0,0|0,0,1]=3 35 B11R0.3 ICCCCCCCCCCI 3844 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.3 OCCCCCCCCCCBr 36230 [1,1,0,0,0,0|0,0,2]=4 37 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] 25493 [0,2,0,0,0,0|2,0,0]=4 38 B13R0.54 CCCCCCCCC\C=C\C(=O)O 17485 [0,2,0,0,0,0|1,0,0]=3 39 B13R0.54 CCCCCCCCC\C=C\C(=O)O 17492 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.91 CC(=O)CCN1CCOCC1 15916 [1,0,0,1,0,0|2,0,0]=4 41 B11R1.91 O=C(O)CCC1CCCCC1 20248 [1,0,0,1,0,0|1,0,0]=3 42 B11R1.91 O=C(O)CCC1CCNCC1 19136 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.172 O=C(O)CCCN1CCCC1 23548 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.742 O=C(O)CC1CCCCCC1 16200 [1,0,0,1,0,0|1,0,0]=3 46 B11R1.17 CCCCC1CCCCC1=O 20238 [1,0,0,1,0,0|0,0,0]=2 47 B11R1.28 OCCCCC1CCCCC1 16196 [1,0,0,1,0,0|0,0,2]=4 48 B13R1.279 OC1CCCCCCCCCCC1 32338 [0,1,0,1,0,0|0,0,2]=4 49 B13R2.435 O=C(O)C1CC2CCCCC2N1 7288 [0,0,0,2,0,0|2,0,0]=4 50 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 15646 [0,0,0,2,0,0|2,0,0]=4 51 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 15854 [0,0,0,2,0,0|2,0,0]=4 52 B13R2.14125 O=C(O)CC12CCCN1CCC2 30360 [0,0,0,2,0,0|2,0,0]=4