0 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 N#CC1=CC=CN=C1 c08847 [1,0,0,0,0,0|0,0,2]=3 6 B10R1.13 CC(N)C1=CC=C(O)C=C1 c07375 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 c08153 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.15 NNC(=O)C1=CC=NC=C1 c08623 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.113 CC(N)C1=CC(O)=CC=C1 c07637 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.113 CC1=CC=CC(C(=O)O)=N1 c08168 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 c04283 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.7 O=C([O-])C1=NC=CS1 c01005 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [0,0,0,0,0,1|2,0,0]=3 21 B7R1.3 NC1=CC=NC=C1 c08484 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 O\N=C\C1=CC=CN=C1 c05004 [1,1,0,0,0,0|0,0,1]=3 23 B9R1.11 NNC(=O)C1=CC=CO1 a06404 [0,1,0,0,1,0|1,0,0]=3 24 B9R1.11 NNC(=O)C1=CC=CS1 M05230 [0,1,0,0,1,0|1,0,0]=3 25 B9R1.35 CC1=CC(C(N)=O)=NN1 c07676 [0,1,0,0,1,0|1,0,0]=3 26 B9R1.35 CC1=NNC(C(=O)O)=C1 a01825 [0,1,0,0,1,0|2,0,0]=4 27 B9R1.35 CC1=NOC(C(=O)O)=C1 e00745 [0,1,0,0,1,0|2,0,0]=4 28 B9R1.35 O=C(O)C1=CC=C(Br)O1 a03525 [0,1,0,0,1,0|2,0,0]=4 29 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 a01045 [0,1,0,0,0,1|1,0,0]=3 30 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 c08649 [0,1,0,0,0,1|2,0,0]=4 31 B11R1.40 CCC(=O)NC1=CC=CC=C1 a03951 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.40 COC(=O)NC1=CC=CC=C1 e00869 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.40 NNC(=O)CC1=CC=CC=C1 M06886 [0,1,0,0,0,1|1,0,0]=3 34 B11R1.40 NNC(=S)NC1=CC=CC=C1 m09227 [0,1,0,0,0,1|1,1,0]=4 35 B11R1.40 O=C(CBr)NC1=CC=CC=C1 c03076 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 a03955 [0,1,0,0,0,1|2,0,0]=4 37 B11R1.86 CC(=O)NC1=CC=CC=C1Cl a03950 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.86 CC(=O)NC1=CC=CC=C1O e01100 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 c04934 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 c07391 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 c08636 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.21 CC1=C(I)C=C(C(N)=O)C=C1 a05058 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.21 CC1=CC=C(C(=O)O)C=C1Br a00556 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br a03147 [0,2,0,0,0,0|1,0,0]=3 45 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 e00712 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 c07252 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.22 COC(=O)C1=CC=C(N)C=C1 c04948 [0,2,0,0,0,0|2,0,0]=4 48 B11R1.22 COC(=O)C1=CC=C(O)C=C1 e00879 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 e00711 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 M04886 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 a08341 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 c08848 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 e00679 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.166 O=C(O)C1=CN=C(O)N=C1O c07224 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 e00709 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 c05440 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.23 COC(=O)C1=CC(O)=CC=C1 c00871 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.23 NNC(=O)C1=CC(I)=CC=C1 M01603 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 m08174 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.222 CNC(=O)C1=CC=CC=C1N c01847 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.222 NNC(=O)C1=C(Cl)C=CC=C1 a03954 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.222 NNC(=O)C1=CC=CC=C1N c05360 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 c07584 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.53 COC1=C(C(N)=O)C=CC=C1 e00137 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.167 NC(=O)C1=C(O)C=CC(Cl)=C1 c07352 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 e00950 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.13 NC(=O)CN1C=CC=N1 e01093 [0,0,1,1,0,0|1,0,1]=4 68 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M06543 [0,0,0,1,0,1|2,0,0]=4 69 B11R2.10 O=C1CC2=CC=CC=C2N1 c07629 [0,0,0,1,0,1|1,0,0]=3 70 B11R2.10 SC1=NC2=C(C=CC=C2)N1 c08577 [0,0,0,1,0,1|1,1,0]=4 71 B7R1.1 NCC1=CSC=C1 a02714 [1,0,0,0,1,0|1,0,1]=4