0 B10R1.61 NC1=CC=CC=C1C(=O)O YMDB00278 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 O=C(O)C1=CC=CC=C1O YMDB01322 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 COC1=CC=CC=C1O YMDB01430 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.159 NC1=C(O)C=CC=C1C(=O)O YMDB00254 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 YMDB02315 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.222 COC(=O)C1=CC=CC=C1O YMDB01370 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|0,0,0]=2 12 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|0,0,2]=4 13 B8R1.5 CC1=CC=CC=C1O YMDB01457 [2,0,0,0,0,0|0,0,1]=3 14 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [1,1,0,0,0,0|1,0,0]=3 15 B10R1.13 NC1=CC=C(C(=O)O)C=C1 YMDB00493 [1,1,0,0,0,0|1,0,0]=3 16 B10R1.13 O=C(O)C1=CC=C(O)C=C1 YMDB00495 [1,1,0,0,0,0|1,0,0]=3 17 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.4 OCCC1=CC=CC=C1O YMDB02314 [1,1,0,0,0,0|0,0,2]=4 20 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O YMDB00007 [0,2,0,0,0,0|2,0,0]=4 21 B12R1.283 O=CNC1=CC=CC=C1C(=O)O YMDB00811 [0,2,0,0,0,0|1,0,1]=4 22 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 YMDB00159 [0,0,1,1,0,0|2,0,0]=4 23 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [1,0,0,0,1,0|2,0,0]=4