0 B7R0.16 CC(C)C(Br)C(=O)Cl 477377 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.16 CC(C)[C@@H](Br)C(=O)O 209858 [1,0,0,0,0,0|1,0,0]=2 2 B9R0.6 CCOC(=O)C(N)C(C)=O 042670 [0,1,0,0,0,0|2,0,1]=4 3 B9R0.25 CC[C@H](C)[C@H](N)C(F)(F)F 044264 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.27 COC(=O)C(N)C(=O)OC 067157 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.79 CC(C)C(O)C(N)C(=O)O 330716 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 104319 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 097769 [0,0,0,1,0,0|1,0,0]=2 8 B6R0.4 CCCCS(=O)[O-] 044582 [2,0,0,0,0,0|1,0,1]=4 9 B6R0.4 NCCCC(N)=O 373559 [2,0,0,0,0,0|2,0,0]=4 10 B8R0.23 CC(=O)C(C)CC(=O)O 103634 [1,1,0,0,0,0|0,0,1]=3 11 B8R0.34 CCS(=O)(=O)CC(=O)O 310674 [1,1,0,0,0,0|2,0,0]=4 12 B8R0.12 CCCC(F)(F)C(=O)O 035962 [1,1,0,0,0,0|1,0,0]=3 13 B8R1.5 N[C@@H]1CCCC[C@@H]1O 093768 [1,0,0,1,0,0|1,0,1]=4 14 B8R1.23 O=C1C[C@@H](C(=O)O)N1 436546 [1,0,0,1,0,0|1,0,1]=4 15 B10R1.61 NC1CCCCC1C(=O)O 391728 [0,1,0,1,0,0|2,0,0]=4