0 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|0,0,2]=3 6 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.159 [C@H]1(O)C=CC=C(C(=O)O)[C@@H]1N DB02124 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=C1 DB04110 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.266 COC1=CC=CC(C(N)=O)=C1 DB03073 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.41 O=C(O)C1=CON=C1O DB02111 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,1]=4 19 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [2,0,0,0,0,0|0,0,0]=2 20 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,1,0,0,0,1|1,0,0]=3 31 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 DB08327 [0,1,0,0,0,1|1,0,0]=3 32 B12R1.225 [C@H](C)(C1=CC(O)=CC=C1)N(C)C DB04556 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.56 COC1=CC(C(=O)[O-])=CC=C1O DB02130 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O DB04598 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.511 O=C(O)C1=C(O)C(I)=CC(I)=C1 DB04674 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.128 CC(C)(C)C1=CC(O)=CC=C1O DB07726 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.128 O=S(=O)(O)C1=C(O)C=CC(O)=C1 DB13529 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=N1 DB04267 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.258 O=[N+]([O-])C1=CC(B(O)O)=CC=C1 DB02797 [0,2,0,0,0,0|2,0,0]=4 40 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|0,0,2]=4 41 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,0,0,1,0,1|2,0,0]=4 42 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,0,0,0,0,1|1,1,0]=4