0 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,0,0,0,0,0|2,0,1]=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 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 DB01086 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,1,0,0,0,0|1,0,2]=4 13 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 DB12948 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.612 OB1OCC2=CC(Cl)=CC=C12 DB12810 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.612 OB1OCC2=CC(F)=CC=C12 DB09041 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [2,0,0,0,0,0|0,0,0]=2 17 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [2,0,0,0,0,0|0,0,0]=2 18 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [2,0,0,0,0,0|0,0,2]=4 21 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [2,0,0,0,0,0|1,0,1]=4 28 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 DB00316 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.20 CC(N)CC1=CC=C(O)C=C1 DB09352 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [1,1,0,0,0,0|0,0,0]=2 31 B11R1.3 COC1=CC=C([SH](=O)=O)C=C1 DB03033 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 DB03120 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 DB03006 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.19 O=S(=O)(O)C1=CC=C([Hg])C=C1 DB02983 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [1,1,0,0,0,0|0,0,0]=2 38 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.222 COC(=O)C1=CC=CC=C1O DB09543 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 DB07718 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 DB14177 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.17 O=C(NCCO)C1=CC=C(Cl)C=C1 DB08082 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 DB08711 [0,2,0,0,0,0|0,0,0]=2 49 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [1,0,0,0,0,1|1,0,0]=3