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(=O)C1=CC=CN=C1 DB02701 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.6 NC(=O)C1=NC=CN=C1 DB00339 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.2 OCC1=CC=CC=C1 DB06770 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,0,0,0,0,0|0,0,2]=3 13 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,0,0,0,0,0|0,1,1]=3 14 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 DB11710 [0,1,0,0,0,0|0,0,1]=2 32 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.7 NC(=[NH2+])N1C=NC=N1 DB02048 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,0,0,0,1,0|1,0,1]=3 36 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [0,0,0,0,1,0|2,0,0]=3 37 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [0,0,0,0,0,1|2,0,1]=4 38 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [0,0,0,0,0,1|2,0,1]=4 39 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,0,0,0,0,1|1,1,0]=3 40 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [0,0,0,0,0,1|2,0,0]=3 41 B7R1.3 CC1=CC=CC=C1 DB11558 [2,0,0,0,0,0|1,0,1]=4 42 B7R1.3 CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|0,0,1]=3 43 B7R1.3 IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.3 NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|1,0,0]=3 45 B7R1.3 OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.41 O=C(O)C1=CON=C1O DB02111 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,0,0,0,1|1,0,0]=3 55 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.3 NC(=O)C1=NN=C(NN)C=C1 DB09243 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 DB00259 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 DB01784 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.222 COC(=O)C1=CC=CC=C1O DB09543 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.167 NC(=O)C1=NC(F)=CN=C1O DB12466 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 DB00244 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.266 COC1=CC=CC(C(N)=O)=C1 DB03073 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,0,0,0,2|2,0,0]=4