0 B10R1.13 CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.13 CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC1=CN=C(C(C)C)C=N1 YMDB01446 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.13 O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.1 C=CC1=CC=C(O)C=C1 YMDB01627 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.1 CCC1=CC=C(O)C=C1 YMDB01617 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 CC(=O)C1=CC=CC=C1 YMDB01629 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.6 NC(=O)C1=CC=CN=C1 YMDB00274 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 NC(=O)C1=NC=CN=C1 YMDB00976 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 O=C(O)C1=CC=CC=C1 YMDB02301 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 O=C(O)C1=CN=CC=C1 YMDB00224 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.3 COC1=CC=C(C(=O)O)C=C1 YMDB01638 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 YMDB01647 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 YMDB01321 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 YMDB02315 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.35 O=C(O)C1=CC=C(O)O1 YMDB02319 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [0,0,0,0,0,1|2,0,0]=3 19 B8R1.2 O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|0,0,0]=2 20 B8R1.2 OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|0,0,2]=4 21 B8R1.3 CC1=CN=C(C)C=N1 YMDB01598 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.3 O=C1C=CC(=O)C=C1 YMDB00155 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.1 NCCC1=CC=C(O)C=C1 YMDB01797 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.1 OCCC1=CC=C(O)C=C1 YMDB01798 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.61 NC1=CC=CC=C1C(=O)O YMDB00278 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.61 O=C(O)C1=CC=CC=C1O YMDB01322 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 YMDB01631 [0,2,0,0,0,0|1,0,0]=3 29 B12R1.56 COC1=CC(C(=O)O)=CC=C1O YMDB01802 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 YMDB01323 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 YMDB01688 [0,2,0,0,0,0|1,0,0]=3 32 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [1,0,0,0,1,0|1,0,0]=3 33 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [1,0,0,0,1,0|1,0,0]=3 34 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [1,0,0,0,1,0|1,0,0]=3 35 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [1,0,0,0,1,0|2,0,0]=4 36 B10R1.18 CC(=O)OC1=CC=CC=C1 YMDB00838 [1,0,0,0,0,1|0,0,0]=2 37 B10R1.18 O=C(O)CC1=CC=CC=C1 YMDB00891 [1,0,0,0,0,1|1,0,0]=3 38 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 YMDB00498 [0,0,0,0,0,2|2,0,0]=4