0 B4R0.1 CC(=O)C=O YMDB00170 [1,0,0,0,0,0|1,0,2]=4 1 B4R0.1 CC(C)C=O YMDB00482 [1,0,0,0,0,0|1,0,0]=2 2 B4R0.1 CC(C)CO YMDB00573 [1,0,0,0,0,0|1,0,1]=3 3 B4R0.1 CC(O)CO YMDB01405 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 CN(C)C=O YMDB01396 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 C[C@@H](O)C=O YMDB00111 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.1 C[C@H](O)C=O YMDB00167 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 O=CC(=O)O YMDB00033 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.7 CC(O)C(C)(C)C YMDB01341 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.8 CC(N)(CO)CO YMDB01327 [0,1,0,0,0,0|2,0,1]=4 10 B3R0.1 C#CCO YMDB01377 [2,0,0,0,0,0|0,0,2]=4 11 B3R0.1 C=CC=O YMDB00812 [2,0,0,0,0,0|0,0,2]=4 12 B3R0.1 CCC=O YMDB00911 [2,0,0,0,0,0|1,0,0]=3 13 B3R0.1 CCCO YMDB01395 [2,0,0,0,0,0|0,0,2]=4 14 B3R0.1 NCC=O YMDB00771 [2,0,0,0,0,0|2,0,0]=4 15 B3R0.1 NCCO YMDB00009 [2,0,0,0,0,0|1,0,1]=4 16 B3R0.1 O=CCO YMDB00343 [2,0,0,0,0,0|1,0,0]=3 17 B3R0.1 OCCO YMDB01564 [2,0,0,0,0,0|1,0,1]=4 18 B3R0.2 CC(=O)O YMDB00056 [2,0,0,0,0,0|1,0,1]=4 19 B3R0.2 CC(C)O YMDB01718 [2,0,0,0,0,0|0,0,0]=2 20 B5R0.1 CC(C)=CCS YMDB01604 [1,1,0,0,0,0|0,0,2]=4 21 B5R0.1 CC(C)CC=O YMDB00499 [1,1,0,0,0,0|0,0,1]=3 22 B5R0.1 CC(C)CCO YMDB00570 [1,1,0,0,0,0|0,0,2]=4 23 B5R0.3 CCC(C)C=O YMDB00485 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.3 CCC(C)CO YMDB00567 [1,1,0,0,0,0|0,0,2]=4 25 B5R0.3 CCC(O)CO YMDB02307 [1,1,0,0,0,0|0,0,2]=4 26 B5R0.3 O=C[C@H](O)CO YMDB00575 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.3 OCC(O)CO YMDB00283 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.5 CC(=O)[C@@H](C)O YMDB00410 [1,1,0,0,0,0|0,0,1]=3 29 B5R0.5 CC(C)C(=O)O YMDB01320 [1,1,0,0,0,0|1,0,0]=3 30 B5R0.5 CC(C)C(C)O YMDB01346 [1,1,0,0,0,0|0,0,2]=4 31 B5R0.5 CC(O)C(C)O YMDB01407 [1,1,0,0,0,0|0,0,2]=4 32 B5R0.5 C[C@@H](N)C(=O)O YMDB00993 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.5 C[C@@H](O)C(=O)O YMDB00287 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.5 C[C@@H](O)[C@@H](C)O YMDB00413 [1,1,0,0,0,0|0,0,2]=4 35 B5R0.5 C[C@H](N)C(=O)O YMDB00154 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.5 C[C@H](O)C(=O)O YMDB00247 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.9 CC(=O)CC(C)(C)S YMDB01415 [0,2,0,0,0,0|0,1,1]=4