0 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,0,0,0,0,0|0,0,2]=3 7 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,0,0,0,0,0|0,1,1]=3 8 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.7 NC(=[NH2+])N1C=NC=N1 DB02048 [0,0,0,0,1,0|3,0,0]=4 19 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,0,0,0,1,0|1,0,1]=3 20 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [0,0,0,0,1,0|2,0,0]=3 21 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,0,0,0,0,1|1,1,0]=3 22 B7R1.3 CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|0,0,1]=3 23 B7R1.3 IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|2,0,0]=4 24 B7R1.3 NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|1,0,0]=3 25 B7R1.3 OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|1,0,0]=3 27 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,1,0,0,0,0|1,0,1]=4 28 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,1,0,0,0,0|1,0,0]=3 29 B9R1.41 O=C(O)C1=CON=C1O DB02111 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,0,0,0,1|1,0,0]=3 34 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [0,2,0,0,0,0|2,0,0]=4 35 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.3 NC(=O)C1=NN=C(NN)C=C1 DB09243 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [0,2,0,0,0,0|2,0,0]=4 38 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 DB01784 [0,2,0,0,0,0|2,0,0]=4 39 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,2,0,0,0,0|2,0,0]=4 41 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.266 COC1=CC=CC(C(N)=O)=C1 DB03073 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,0,0,0,2|2,0,0]=4