0 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 NC(=O)C1=NC=CN=C1 DB00339 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 COC1=C(O)C=CC=C1 DB11359 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 NC1=CC=CC=C1CO DB03058 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.15 SCC1=CC=CC=C1I DB03630 [1,0,0,0,0,0|1,1,1]=4 21 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 DB02513 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=C1 DB04110 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.167 NC(=O)C1=NC(F)=CN=C1O DB12466 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 DB00244 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.222 COC(=O)C1=CC=CC=C1O DB09543 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,1,0,0,0,0|0,0,0]=1 32 B9R1.41 O=C(O)C1=CON=C1O DB02111 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,1]=3 34 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|0,0,2]=4 35 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.5 N=C1C=CNC=C1N DB11640 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.5 NC1=CC=CC=C1F DB02403 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.5 NC1=CC=CC=C1O DB01726 [2,0,0,0,0,0|0,0,0]=2 39 B8R1.5 OC1=CC=CC=C1Br DB04586 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.5 OC1=CC=CC=C1Cl DB03110 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.5 OC1=CC=CC=C1O DB02232 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.113 C[N+]1=CC=CC(C(N)=O)=C1 DB11710 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 DB08327 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O DB02746 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O DB01796 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.128 O=S(=O)(O)C1=C(O)C=CC(O)=C1 DB13529 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.1010 NS(=O)(=O)C1=C(F)C=CC=C1F DB03270 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.511 O=C(O)C1=C(O)C(I)=CC(I)=C1 DB04674 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O DB04598 [0,2,0,0,0,0|2,0,0]=4 62 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|2,0,0]=4 63 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,0,0,0,0,2|1,0,0]=3