0 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 CC1=NC=CC=C1 YMDB01458 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.1 C=CC1=CC=C(O)C=C1 YMDB01627 [0,1,0,0,0,0|1,0,2]=4 4 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [0,1,0,0,0,0|1,0,0]=2 5 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [0,1,0,0,0,0|1,0,1]=3 6 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [0,1,0,0,0,0|1,0,1]=3 7 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [0,1,0,0,0,0|1,0,1]=3 10 B9R1.8 C\C=C\C1=CN=CC=N1 YMDB01512 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.8 NCCC1=CC=CC=C1 YMDB01558 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.8 O=CCC1=CC=CC=C1 YMDB00116 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.8 OCCC1=CC=CC=C1 YMDB01072 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.15 COC1=CC=CC=C1O YMDB01430 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.1 CCC1=CC=CO1 YMDB01437 [0,0,0,0,1,0|1,0,0]=2 16 B7R1.1 CCC1=NC=CS1 YMDB01505 [0,0,0,0,1,0|1,0,0]=2 17 B7R1.1 CSC1=CSC=C1 YMDB01449 [0,0,0,0,1,0|2,0,0]=3 18 B7R1.1 O=CC1=CC=CO1 YMDB01459 [0,0,0,0,1,0|2,0,1]=4 19 B7R1.1 OCC1=CC=CS1 YMDB01447 [0,0,0,0,1,0|2,0,0]=3 20 B7R1.1 SCC1=CC=CO1 YMDB01433 [0,0,0,0,1,0|2,0,0]=3 21 B6R0.6 CCC\C=C/C=O YMDB01655 [1,0,1,0,0,0|1,0,1]=4 22 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,0,1,0,0,0|1,0,1]=4 23 B8R1.3 CC1=CN=C(C)C=N1 YMDB01598 [1,1,0,0,0,0|1,0,0]=3 24 B8R1.3 O=C1C=CC(=O)C=C1 YMDB00155 [1,1,0,0,0,0|2,0,0]=4 25 B8R1.4 CC1=CC=CC(O)=C1 YMDB01730 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.4 CC1=CN=CC(C)=N1 YMDB01600 [1,1,0,0,0,0|1,0,0]=3 27 B8R1.5 CC1=CC=CC=C1O YMDB01457 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,1,0,0,1,0|2,0,0]=4 29 B8R1.1 CCC1=CN=C(C)S1 YMDB01509 [0,1,0,0,1,0|1,0,0]=3 30 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [0,1,0,0,1,0|1,0,1]=4 31 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [0,1,0,0,1,0|1,0,1]=4 32 B8R1.8 NCCC1=CNC=N1 YMDB01556 [0,1,0,0,1,0|1,0,0]=3 33 B8R1.8 SCCC1=CC=CO1 YMDB01460 [0,1,0,0,1,0|1,0,0]=3 34 B8R1.11 CCC1=C(C)N=CO1 YMDB01498 [0,1,0,0,1,0|1,0,0]=3 35 B8R1.11 CSC1=C(C)OC=C1 YMDB01452 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.1 CCCC1=NC=C(C)N=C1 YMDB01504 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.1 NCCC1=CC=C(O)C=C1 YMDB01797 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.1 OCCC1=CC=C(O)C=C1 YMDB01798 [0,2,0,0,0,0|1,0,0]=3 39 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,2,0,0,0,0|1,0,1]=4 40 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.13 CC1=CN=C(C(C)C)C=N1 YMDB01446 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.25 CC1=NC=C(CO)C(N)=N1 YMDB00118 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.25 CCC1=C(C)N=C(C)C=N1 YMDB01441 [0,2,0,0,0,0|1,0,0]=3 44 B10R1.15 N#CC(O)C1=CC=CC=C1 YMDB01642 [0,2,0,0,0,0|1,0,1]=4 45 B10R1.4 OCCC1=CC=CC=C1O YMDB02314 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [0,2,0,0,0,0|1,0,1]=4 48 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,0,1,0|1,0,0]=3 49 B6R1.2 CC1=CSC=N1 YMDB01620 [1,0,0,0,1,0|1,0,0]=3