0 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.21 [C@H]1(O)C=C(C(=O)O)OC[C@@H]1O DB03284 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.56 COC1=CC(C(=O)[O-])=CC=C1O DB02130 [0,1,0,0,0,0|0,0,1]=2 13 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O DB04598 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.1005 O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1 DB04347 [0,1,0,0,0,0|0,0,3]=4 15 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,0,0,0,0,1|0,0,0]=1 16 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [2,0,0,0,0,0|0,0,0]=2 17 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [2,0,0,0,0,0|1,0,1]=4 18 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [2,0,0,0,0,0|0,0,1]=3 26 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [1,1,0,0,0,0|0,0,0]=2 28 B11R1.3 COC1=CC=C([SH](=O)=O)C=C1 DB03033 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 DB03120 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 DB03006 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.19 O=S(=O)(O)C1=CC=C([Hg])C=C1 DB02983 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.159 [C@H]1(O)C=CC=C(C(=O)O)[C@@H]1N DB02124 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.266 COC1=CC=CC(C(N)=O)=C1 DB03073 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.280 C=CC1=CC=C(O)C(OC)=C1 DB03514 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.280 COC1=CC(OO)=CC=C1O DB03764 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.510 N[C@H](C(=O)O)C1=CC(Cl)=C(O)C=C1 DB03898 [0,1,0,0,0,1|1,0,0]=3 44 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 DB08711 [0,2,0,0,0,0|0,0,0]=2 45 B9R1.41 O=C(O)C1=CON=C1O DB02111 [1,0,0,0,1,0|2,0,0]=4 46 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 DB01880 [0,0,0,0,0,2|0,0,0]=2