0 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC1=CN=C(C(C)C)C=N1 YMDB01446 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.19 CC1=CCC(C(C)(C)O)CC1 YMDB01373 [0,1,0,0,0,0|0,0,2]=3 5 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 YMDB01647 [0,1,0,0,0,0|0,0,2]=3 6 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O YMDB01741 [0,1,0,0,0,0|0,0,3]=4 7 B11R1.220 CC1=CCC(O)(C(C)C)CC1 YMDB01790 [0,1,0,0,0,0|0,0,2]=3 8 B9R0.1 C=CC(=C)CCC=C(C)C YMDB01753 [0,0,1,0,0,0|0,0,2]=3 9 B9R1.35 CC1=CSC(C(C)C)=N1 YMDB01496 [0,0,0,0,1,0|2,0,0]=3 10 B9R1.35 CC1=NC(C(C)C)=CS1 YMDB01510 [0,0,0,0,1,0|2,0,0]=3 11 B8R0.6 C=CC(=O)CCCCC YMDB01444 [1,0,1,0,0,0|1,0,1]=4 12 B8R0.28 CC(=O)CCC=C(C)C YMDB00877 [1,0,1,0,0,0|1,0,1]=4 13 B10R0.3 CC(C)=CCC\C(C)=C/CO YMDB01760 [0,1,1,0,0,0|0,0,2]=4 14 B10R0.3 CC(C)=CCC\C(C)=C\C=O YMDB01656 [0,1,1,0,0,0|0,0,1]=3 15 B10R0.3 CC(C)=CCC\C(C)=C\CO YMDB01700 [0,1,1,0,0,0|0,0,2]=4 16 B10R0.60 C=C\C(C)=C\CCC(C)(C)O YMDB01762 [0,1,1,0,0,0|0,0,2]=4 17 B10R0.65 C=CC(C)(O)CCC=C(C)C YMDB01371 [0,1,1,0,0,0|0,0,2]=4 18 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [1,0,0,0,1,0|2,0,0]=4 19 B8R1.1 CCC1=CN=C(C)S1 YMDB01509 [1,0,0,0,1,0|2,0,0]=4