0 B10R1.13 CC(N)C1=CC=C(O)C=C1 c07375 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 CN(C)C1=CC=C(N)C=C1 c08318 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 c08153 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 OCC1=CC=C(O)C=C1 c08578 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 c08636 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.21 CC1=C(I)C=C(C(N)=O)C=C1 a05058 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.21 CC1=CC=C(C(=O)O)C=C1Br a00556 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br a03147 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1Br c07904 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1Br c02572 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.21 O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1 c08157 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 e00712 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 m02696 [0,1,0,0,0,0|0,0,1]=2 18 B11R1.22 CCC(N)C1=CC=C(O)C=C1 c07399 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 c07252 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.22 COC(=O)C1=CC=C(N)C=C1 c04948 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.22 COC(=O)C1=CC=C(O)C=C1 e00879 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.22 C\C(=N\O)C1=CC=C(Br)C=C1 a01486 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 e00711 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 M04886 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 a08341 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.166 CC(N)C1=C(F)C=C(F)C=C1 c07386 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 c08848 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 e00679 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 CC1=CC(C(N)=O)=NN1 c07676 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.35 CC1=NNC(C(=O)O)=C1 a01825 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.35 CC1=NOC(C(=O)O)=C1 e00745 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.35 O=C(O)C1=CC=C(Br)O1 a03525 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.3 CC1=CC=C(I)C=C1 a06235 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.1 O\N=C\C1=CC=C(O)C=C1 c05010 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.25 COC1=C(Br)C=C(C)C=C1 a03095 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.176 COC1=CC=C(N)C(C)=C1 c07873 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 NNC(=O)C1=CC=NC=C1 c08623 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.113 CC(N)C1=CC(O)=CC=C1 c07637 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.113 CC1=CC=CC(C(=O)O)=N1 c08168 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 c04283 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.14 COC(=O)C1=CC=C(Br)O1 a03363 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 c07334 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 a03958 [0,1,0,0,0,1|0,0,0]=2 50 B12R1.20 CC1=CC=C(C(=O)N(C)C)C=C1 c08843 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 c03111 [0,1,0,0,0,1|0,0,0]=2 52 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 c05262 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 c02629 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 c07615 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 a08692 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 c03252 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 c07196 [0,1,0,0,0,1|0,0,0]=2 58 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 c02414 [0,2,0,0,0,0|0,0,0]=2 59 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 M04941 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 c07902 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 e00525 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.48 COC1=CC=C(C(=O)O)C=C1Br a07581 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.48 COC1=CC=C(C(=O)O)C=C1I M06551 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N a09112 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 c07582 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 c07616 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 c00218 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 c07416 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.256 CC(C)C1=CC=C(C(N)=O)C=C1 c05563 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 e01170 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 c07908 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.367 CC1=CC=C(C(=O)NN)C=C1Br a08108 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=C1 c07405 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 c08865 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.12 CC\C(=N\O)C1=CC=C(O)C=C1 c06006 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.16 CCNC(=O)C1=CC=C(Cl)C=C1 c04047 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 e00681 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(=O)N1 e01080 [0,2,0,0,0,0|2,0,0]=4 79 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 c07401 [0,0,0,1,0,1|2,0,0]=4 80 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [1,0,0,0,0,1|0,0,0]=2 81 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [1,0,0,0,0,1|1,0,0]=3 82 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 c02898 [0,0,0,0,0,2|2,0,0]=4 83 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 a07584 [0,0,0,0,0,2|1,0,0]=3 84 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 a01171 [0,0,0,0,0,2|1,0,0]=3 85 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 a03426 [0,0,0,0,0,2|1,0,0]=3 86 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 a00282 [0,0,0,0,0,2|2,0,0]=4 87 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 c04998 [0,0,0,0,0,2|2,0,0]=4 88 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 a02584 [0,0,0,0,0,2|2,0,0]=4