0 B5R0.1 CC(C)CCO DB02296 [1,0,0,0,0,0|0,0,2]=3 1 B5R0.1 CC(O)CCO DB14110 [1,0,0,0,0,0|0,1,2]=4 2 B5R0.1 CN(C)CCO DB13352 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 C[C@H](O)CCO DB02202 [1,0,0,0,0,0|0,1,2]=4 4 B5R0.2 CCCCC=O DB01919 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.2 CCCCCN DB02045 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 COCCOC DB01749 [1,0,0,0,0,0|2,1,0]=4 7 B5R0.2 [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.3 O=C[C@H](O)CO DB02536 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.11 [C-]#[N+]CC(C)(C)OC DB14106 [0,1,0,0,0,0|2,1,0]=4 12 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|0,1,1]=4 13 B4R0.1 CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,1,1]=4 14 B4R0.1 CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,0]=3 15 B4R0.1 C[C@@H](Cl)CCl DB01701 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.1 C[C@@H](O)CO DB02159 [2,0,0,0,0,0|0,1,1]=4 17 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|0,1,0]=3 18 B4R0.1 C[C@H](O)CBr DB03335 [2,0,0,0,0,0|1,1,0]=4 19 B4R0.1 C[C@H](O)CO DB04349 [2,0,0,0,0,0|0,1,1]=4 20 B4R0.1 C[C@H](O)C[NH3+] DB02576 [2,0,0,0,0,0|1,1,0]=4 21 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,1]=4 22 B4R0.2 CCCCO DB02145 [2,0,0,0,0,0|0,0,2]=4 23 B4R0.2 COCCO DB02806 [2,0,0,0,0,0|0,1,1]=4 24 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,2]=4 25 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|0,1,1]=4 26 B4R0.2 [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 CC(=O)CC(=O)O DB01762 [1,1,0,0,0,0|0,1,1]=4 28 B6R0.2 CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|0,0,0]=2 29 B6R0.2 CC(C)C[C@@H](C)N DB02107 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.2 CC(C)SC(=N)N DB04018 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.2 CN(C)CC(=O)O DB02083 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.3 CC(C)[C@H](N)CO DB04383 [1,1,0,0,0,0|0,0,2]=4 33 B6R0.5 CC(C)(C)OC=O DB02768 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.5 C[N+](C)(C)CC=O DB04401 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.6 O=CCCCC=O DB03266 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.9 [C@@H](N)(CC)CCC(=O)O DB04235 [0,2,0,0,0,0|2,0,0]=4