0 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [0,0,0,0,0,0|0,0,0]=0 2 B7R1.3 CC1=NC=CC=C1 YMDB01458 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.1 C=CC1=CC=C(O)C=C1 YMDB01627 [0,1,0,0,0,0|1,0,1]=3 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|0,0,2]=3 6 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [0,1,0,0,0,0|1,0,2]=4 7 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [0,1,0,0,0,0|0,0,1]=2 8 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.8 NCCC1=CC=CC=C1 YMDB01558 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.8 O=CCC1=CC=CC=C1 YMDB00116 [0,1,0,0,0,0|0,0,1]=2 11 B9R1.8 OCCC1=CC=CC=C1 YMDB01072 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.15 COC1=CC=CC=C1O YMDB01430 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.1 CCC1=CC=CO1 YMDB01437 [0,0,0,0,1,0|2,0,0]=3 14 B7R1.1 CCC1=NC=CS1 YMDB01505 [0,0,0,0,1,0|3,0,0]=4 15 B7R1.1 CSC1=CSC=C1 YMDB01449 [0,0,0,0,1,0|3,0,0]=4 16 B7R1.1 O=CC1=CC=CO1 YMDB01459 [0,0,0,0,1,0|1,0,2]=4 17 B7R1.1 OCC1=CC=CS1 YMDB01447 [0,0,0,0,1,0|1,0,0]=2 18 B7R1.1 SCC1=CC=CO1 YMDB01433 [0,0,0,0,1,0|1,1,0]=3 19 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,0,1,0,0,0|0,0,1]=3 20 B8R1.3 CC1=CN=C(C)C=N1 YMDB01598 [1,1,0,0,0,0|2,0,0]=4 21 B8R1.3 O=C1C=CC(=O)C=C1 YMDB00155 [1,1,0,0,0,0|0,0,1]=3 22 B8R1.4 CC1=CC=CC(O)=C1 YMDB01730 [1,1,0,0,0,0|0,0,0]=2 23 B8R1.4 CC1=CN=CC(C)=N1 YMDB01600 [1,1,0,0,0,0|2,0,0]=4 24 B8R1.5 CC1=CC=CC=C1O YMDB01457 [1,1,0,0,0,0|0,0,0]=2 25 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,1,0,0,1,0|1,1,0]=4 26 B8R1.8 SCCC1=CC=CO1 YMDB01460 [0,1,0,0,1,0|1,1,0]=4 27 B10R1.1 NCCC1=CC=C(O)C=C1 YMDB01797 [0,2,0,0,0,0|1,0,0]=3 28 B10R1.1 OCCC1=CC=C(O)C=C1 YMDB01798 [0,2,0,0,0,0|0,0,0]=2 29 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,2,0,0,0,0|0,0,2]=4 30 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,2,0,0,0,0|0,0,0]=2 31 B10R1.13 NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,2,0,0,0,0|0,0,1]=3 32 B10R1.13 O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,2,0,0,0,0|0,0,1]=3 33 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.25 CC1=NC=C(CO)C(N)=N1 YMDB00118 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.15 N#CC(O)C1=CC=CC=C1 YMDB01642 [0,2,0,0,0,0|0,0,0]=2 36 B10R1.61 NC1=CC=CC=C1C(=O)O YMDB00278 [0,2,0,0,0,0|0,0,1]=3 37 B10R1.61 O=C(O)C1=CC=CC=C1O YMDB01322 [0,2,0,0,0,0|0,0,1]=3 38 B10R1.4 OCCC1=CC=CC=C1O YMDB02314 [0,2,0,0,0,0|0,0,0]=2 39 B10R1.17 O=C\C=C\C1=CC=CC=C1 YMDB01654 [0,2,0,0,0,0|0,0,2]=4 40 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [0,2,0,0,0,0|0,0,2]=4 41 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [0,2,0,0,0,0|0,0,0]=2 42 B10R2.7 C1=CC=C2SC=NC2=C1 YMDB01432 [0,1,0,1,0,0|0,1,1]=4 43 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,0,1,0|1,0,0]=3 44 B6R1.2 CC1=CSC=N1 YMDB01620 [1,0,0,0,1,0|2,0,0]=4