0 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 NC(=O)C1=NC=CN=C1 DB00339 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.222 COC(=O)C1=CC=CC=C1O DB09543 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,0,0,0,0,1|2,0,1]=4 28 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,0,0,0,0,1|1,0,0]=2 29 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|0,0,1]=3 31 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [1,1,0,0,0,0|0,0,1]=3 45 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 DB11710 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,1,0,0,0,0|0,0,0]=2 50 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|0,0,2]=4 53 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.32 CCS\C(N)=N\C1=CC=CC=C1 DB03707 [0,1,0,0,0,1|1,1,0]=4 59 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.3 [C@H](CC)(NC=O)C1=CC=CC=C1 DB07436 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 DB01086 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 DB12948 [0,2,0,0,0,0|2,0,0]=4 63 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|0,0,2]=4 64 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|2,0,0]=4 65 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [0,0,0,1,0,1|1,0,1]=4 68 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,1,0,1|1,0,1]=4 69 B12R2.612 OB1OCC2=CC(Cl)=CC=C12 DB12810 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.612 OB1OCC2=CC(F)=CC=C12 DB09041 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [1,0,0,0,1,0|1,0,0]=3 72 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [1,0,0,0,1,0|2,0,0]=4