0 B9R0.2 CC(C)CCCCCCBr 18956 [1,0,0,0,0,0|2,0,1]=4 1 B9R0.2 CCCCCCCC(=O)[O-] 12870 [1,0,0,0,0,0|1,0,2]=4 2 B9R0.45 BrCCCCCCCCBr 3905 [1,0,0,0,0,0|2,0,1]=4 3 B9R0.45 C#CCCCCCCCO 13081 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.45 CCCCCCCCCBr 3809 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.45 CCCCCCCCCI 3958 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.45 ICCCCCCCCI 3851 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.45 OCCCCCCCCO 36148 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.46 CCCCCCC(C)CBr 18952 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.46 CCCCCCC(O)CO 36051 [1,0,0,0,0,0|1,0,1]=3 10 B11R0.40 CCCCCCCCC(O)CO 12680 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.381 CCN1CCCC[C@H](N)C1=O 6395 [0,0,0,1,0,0|3,0,0]=4 12 B8R0.4 BrCCCCCCCBr 3887 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.4 C#CCCCCCCC 13060 [2,0,0,0,0,0|0,0,2]=4 14 B8R0.4 CCCCC#CCCO 13072 [2,0,0,0,0,0|0,0,2]=4 15 B8R0.4 CCCCCC#CCO 13066 [2,0,0,0,0,0|0,0,2]=4 16 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,0]=3 17 B8R0.4 CCCCC\C=C\CO 18916 [2,0,0,0,0,0|0,0,2]=4 18 B8R0.4 CCCOCCCCCl 1931 [2,0,0,0,0,0|2,0,0]=4 19 B8R0.4 OCCCCCCCO 11489 [2,0,0,0,0,0|1,0,0]=3 20 B8R0.7 CCCCCCB(O)O 29486 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.7 CCCCCCC(C)O 21480 [2,0,0,0,0,0|0,0,1]=3 22 B8R0.7 CCCCCC[C@@H](C)N 6754 [2,0,0,0,0,0|1,0,1]=4 23 B8R0.7 CCCCCC[C@@H](C)O 6072 [2,0,0,0,0,0|0,0,1]=3 24 B8R0.7 CCCCCC[C@H](C)N 6748 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.7 CCCCCC[C@H](C)O 17259 [2,0,0,0,0,0|0,0,1]=3 26 B8R0.7 CCCCCC[C@H](C)O 6073 [2,0,0,0,0,0|0,0,1]=3 27 B8R0.6 C#CC(O)CCCCC 11033 [2,0,0,0,0,0|0,0,2]=4 28 B10R0.4 CCCCCCCCB(O)O 29487 [1,1,0,0,0,0|2,0,0]=4 29 B10R0.4 NCCCCCCCC(=O)O 13165 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.71 BrCCCCCCCCCBr 3900 [1,1,0,0,0,0|1,0,1]=4 31 B10R0.71 CCCCCCCCCCBr 2457 [1,1,0,0,0,0|0,0,2]=4 32 B10R0.71 CCCCCCCCCCI 3942 [1,1,0,0,0,0|0,0,2]=4 33 B10R0.71 ICCCCCCCCCI 3850 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.71 OCCCCCCCCCBr 23429 [1,1,0,0,0,0|1,0,1]=4 35 B12R0.4 CCCCCCCC(O)CC(=O)O 35410 [0,2,0,0,0,0|0,0,1]=3 36 B12R0.248 OCCCCCCCCC(O)CO 32259 [0,2,0,0,0,0|1,0,1]=4 37 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.15 N#C[C@@H](O)C1CCCCC1 17484 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.15 N#C[C@H](O)C1CCCCC1 17482 [1,0,0,1,0,0|1,0,1]=4 40 B12R1.1 CCCCCC1CCC(O)CC1 20385 [0,1,0,1,0,0|0,0,2]=4 41 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 5760 [0,1,0,1,0,0|2,0,0]=4 42 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 16217 [0,1,0,1,0,0|2,0,0]=4 43 B12R2.18 NC1C(O)CC2CCCCC21 13955 [0,0,0,2,0,0|1,0,1]=4