0 B7R0.4 CCCCCC(=O)O YMDB01424 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 C\C=C\C=C\C(=O)O YMDB01784 [0,0,0,0,0,0|0,0,0]=0 2 B6R0.4 CCCCC(=O)O YMDB01484 [1,0,0,0,0,0|0,0,3]=4 3 B6R0.4 O=CCCC(=O)O YMDB00236 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.6 CCC\C=C/C=O YMDB01655 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.6 CCC\C=C\CO YMDB01676 [1,0,0,0,0,0|0,0,3]=4 6 B6R0.6 CC\C=C/CCO YMDB01420 [1,0,0,0,0,0|0,0,3]=4 7 B6R0.6 CC\C=C\CCO YMDB01421 [1,0,0,0,0,0|0,0,3]=4 8 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,0,0,0,0,0|0,0,1]=2 9 B8R0.8 CSCCC(=O)C(=O)O YMDB00421 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.28 CC(=O)CCC=C(C)C YMDB00877 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.4 CC1=CC=CC(O)=C1 YMDB01730 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.4 CC1=CN=CC(C)=N1 YMDB01600 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 NC1=CC=NC(=O)N1 YMDB00651 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 O=C1C=CNC(=O)N1 YMDB00098 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.7 O=C(O)C1CCC=N1 YMDB00243 [0,0,0,1,0,0|1,0,2]=4 21 B5R0.1 CCCC(=O)O YMDB01392 [2,0,0,0,0,0|0,0,2]=4 22 B7R0.6 O=C(O)\C=C\C(=O)O YMDB00101 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.1 CCCC\C=C\C=O YMDB01706 [1,1,0,0,0,0|0,0,2]=4 24 B9R0.5 CCC=CCC(=O)OCC YMDB01357 [0,2,0,0,0,0|0,0,2]=4 25 B9R0.5 CCC\C=C\C(=O)OCC YMDB01365 [0,2,0,0,0,0|0,0,2]=4 26 B7R1.3 CC1=NC=CC=C1 YMDB01458 [1,0,0,1,0,0|2,0,0]=4 27 B7R1.1 CCC1=CC=CO1 YMDB01437 [1,0,0,1,0,0|0,0,1]=3 28 B7R1.1 O=CC1=CC=CO1 YMDB01459 [1,0,0,1,0,0|1,0,0]=3 29 B7R1.1 OCC1=CC=CS1 YMDB01447 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.1 SCC1=CC=CO1 YMDB01433 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.4 CC1=C(S)C=CO1 YMDB01443 [1,0,0,1,0,0|1,1,0]=4 32 B7R1.4 CC1=C(S)C=CS1 YMDB01502 [1,0,0,1,0,0|1,1,0]=4 33 B9R1.13 CC(=O)CC1=CC=CO1 YMDB01695 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.1 C=CC1=CC=C(O)C=C1 YMDB01627 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.3 CC1=C(O)C(=O)C=CO1 YMDB01601 [0,1,0,1,0,0|1,0,0]=3 37 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [0,1,0,1,0,0|1,0,1]=4 38 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [0,1,0,1,0,0|2,0,0]=4 40 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [0,1,0,1,0,0|0,0,1]=3 41 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [0,1,0,1,0,0|0,0,1]=3 42 B9R1.35 O=C(O)C1=CC=C(O)O1 YMDB02319 [0,1,0,1,0,0|1,0,0]=3