0 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 NC(=O)C1=NC=CN=C1 DB00339 [0,0,0,0,0,0|3,0,0]=3 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|0,0,0]=0 6 B9R1.6 O=C(O)C1=CCCNC1 DB08848 [0,0,0,0,0,0|1,0,3]=4 7 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.2 OCC1=CC=CC=C1 DB06770 [1,0,0,0,0,0|0,0,1]=2 13 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,0,0,0,0,0|1,1,1]=4 15 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,1,0,0,0,0|0,0,0]=1 19 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,1,0,0,0,0|0,0,0]=1 29 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [0,1,0,0,0,0|0,0,0]=1 30 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [0,1,0,0,0,0|0,0,0]=1 31 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [0,1,0,0,0,0|0,0,1]=2 32 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [0,1,0,0,0,0|0,0,1]=2 33 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [0,1,0,0,0,0|0,0,1]=2 34 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 DB11710 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [0,1,0,0,0,0|0,0,0]=1 38 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [0,0,0,1,0,0|1,0,1]=3 39 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [0,0,0,0,1,0|1,0,0]=2 40 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [0,0,0,0,1,0|2,0,0]=3 41 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [0,0,0,0,0,1|2,0,1]=4 42 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,0,0,0,0,1|1,1,0]=3 44 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [0,0,0,0,0,1|0,0,0]=1 45 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [1,0,1,0,0,0|1,0,1]=4 46 B7R1.3 CC1=CC=CC=C1 DB11558 [2,0,0,0,0,0|0,0,1]=3 47 B7R1.3 CC1=CC=CC=N1 DB04874 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.3 CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.3 IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.3 N=C1C=CNC=C1 DB06637 [2,0,0,0,0,0|2,0,0]=4 51 B7R1.3 NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|1,0,0]=3 52 B7R1.3 OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|0,0,0]=2 53 B7R1.3 SC1=CC=CC=N1 DB03329 [2,0,0,0,0,0|1,1,0]=4 54 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|0,0,0]=2 56 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,1,0,0,0,0|0,0,1]=3 57 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [1,1,0,0,0,0|0,0,1]=3 59 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,1,0,0,0,0|0,0,0]=2 61 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,1,0,0,0,0|0,0,1]=3 62 B9R1.15 COC1=C(O)C=CC=C1 DB11359 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.15 NC1=CC=CC=C1CO DB03058 [1,1,0,0,0,0|0,0,1]=3 64 B9R1.15 SCC1=CC=CC=C1I DB03630 [1,1,0,0,0,0|0,1,1]=4 65 B9R1.41 O=C(O)C1=CON=C1O DB02111 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,1,0,0,0,1|1,0,0]=3 67 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,0,0,0,1|0,0,0]=2 68 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,1|0,0,0]=2 69 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,1|0,0,0]=2 70 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,0,0,0,1|0,0,0]=2 71 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,1,0,0,0,1|1,0,1]=4 72 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,1,0,0,0,1|0,0,2]=4 73 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 DB03298 [0,1,0,0,0,1|1,0,0]=3 74 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 DB03297 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.3 COC1=CC=C([SH](=O)=O)C=C1 DB03033 [0,2,0,0,0,0|1,0,1]=4 77 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [0,2,0,0,0,0|0,0,0]=2 79 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 DB03120 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 DB00259 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 DB03006 [0,2,0,0,0,0|1,0,0]=3 82 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 DB01784 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.19 O=S(=O)(O)C1=CC=C([Hg])C=C1 DB02983 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 DB09055 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [0,2,0,0,0,0|0,0,0]=2 89 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.222 COC(=O)C1=CC=CC=C1O DB09543 [0,2,0,0,0,0|0,0,0]=2 92 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,2,0,0,0,0|0,0,0]=2 93 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,2,0,0,0,0|0,0,0]=2 95 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,2,0,0,0,0|0,0,0]=2 96 B11R1.159 [C@H]1(O)C=CC=C(C(=O)O)[C@@H]1N DB02124 [0,2,0,0,0,0|0,0,2]=4 97 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=C1 DB04110 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 DB00244 [0,2,0,0,0,0|0,0,0]=2 99 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 DB02262 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.266 COC1=CC=CC(C(N)=O)=C1 DB03073 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,0,0,0,2|0,0,0]=2 102 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [0,0,0,0,0,2|1,0,1]=4