0 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.8 BrCC[N+]1=CC=CC=C1 a01518 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 C\C=C\C1=NC=CC=C1 a03932 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 O\N=C\C1=CC=CN=C1 c05004 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 a01045 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 c08649 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.40 CCC(=O)NC1=CC=CC=C1 a03951 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.40 COC(=O)NC1=CC=CC=C1 e00869 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.40 NNC(=O)CC1=CC=CC=C1 M06886 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.40 NNC(=S)NC1=CC=CC=C1 m09227 [0,1,0,0,0,0|2,1,0]=4 11 B11R1.40 O=C(CBr)NC1=CC=CC=C1 c03076 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 a03955 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.86 CC(=O)NC1=CC=CC=C1Cl a03950 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.86 CC(=O)NC1=CC=CC=C1O e01100 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.86 CN(C)CC1=C(O)C=CC=C1 c02807 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 c04934 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 c07391 [0,1,0,0,0,0|2,0,0]=3 18 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M06543 [0,0,0,1,0,0|2,0,1]=4 19 B11R2.10 O=C1CC2=CC=CC=C2N1 c07629 [0,0,0,1,0,0|1,0,0]=2 20 B11R2.10 SC1=NC2=C(C=CC=C2)N1 c08577 [0,0,0,1,0,0|2,1,0]=4 21 B9R1.6 CC(=O)C1=CC=CC=C1 c08846 [0,0,0,0,1,0|1,0,0]=2 22 B9R1.6 NC(=O)C1=CC=CC=C1 a03942 [0,0,0,0,1,0|1,0,0]=2 23 B9R1.6 NC(=S)C1=NC=CC=C1 a01427 [0,0,0,0,1,0|2,1,0]=4 24 B9R1.6 O=C(O)C1=CC=CC=C1 e00688 [0,0,0,0,1,0|0,0,0]=1 25 B9R1.6 OB(O)C1=CC=CC=C1 c00853 [0,0,0,0,1,0|1,0,1]=3 26 B9R1.13 NC(=O)CN1C=CC=N1 e01093 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 O=C(O)CN1C=CC=N1 e00929 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 e01164 [0,0,0,0,0,1|1,0,2]=4 29 B10R1.1 O\N=C\C1=CC=C(O)C=C1 c05010 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 c04965 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.4 O\N=C\C1=CC=CC=C1O c04922 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.10 O\N=C\C1=CC(O)=CC=C1 c06021 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.15 CCC(N)C1=CC=CC=C1 c07353 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 c08153 [0,1,0,0,1,0|1,0,1]=4 35 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 a09436 [0,1,0,0,1,0|0,0,0]=2 36 B10R1.61 O=C(O)C1=C(O)C=CC=C1 e00882 [0,1,0,0,1,0|0,0,0]=2 37 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 m07340 [0,1,0,0,1,0|1,0,1]=4 38 B10R1.113 CC1=CC=CC(C(=O)O)=N1 c08168 [0,1,0,0,1,0|1,0,0]=3 39 B10R1.113 NC(=O)C1=CC(N)=CC=C1 c06082 [0,1,0,0,1,0|1,0,0]=3 40 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 c04283 [0,1,0,0,1,0|0,0,0]=2 41 B10R1.23 CC(C(=O)O)N1C=CC=C1 c02583 [0,1,0,0,1,0|1,0,0]=3 42 B10R1.23 CC(C(=O)O)N1C=CC=N1 e00743 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.23 CC(C(=O)O)N1C=CN=C1 e00758 [0,1,0,0,1,0|2,0,0]=4 44 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 c02898 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 a07584 [0,1,0,0,0,1|0,0,0]=2 46 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 a01171 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 a03426 [0,1,0,0,0,1|0,0,1]=3 48 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 a00282 [0,1,0,0,0,1|0,0,0]=2 49 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 c04998 [0,1,0,0,0,1|0,0,1]=3 50 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 a02584 [0,1,0,0,0,1|0,0,1]=3 51 B12R1.27 COC(=O)NCC1=CC=CC=C1 c07841 [0,1,0,0,0,1|0,0,0]=2 52 B12R1.27 NNC(=O)COC1=CC=CC=C1 M01601 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 c03084 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O a08934 [0,1,0,0,0,1|0,0,0]=2 55 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O c08648 [0,1,0,0,0,1|0,0,0]=2 56 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 a05300 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.125 C=C(C)COC1=CC=CC=C1N c03068 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.125 CC(=O)NCC1=C(Cl)C=CC=C1 e00298 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 c02600 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 a01169 [0,1,0,0,0,1|1,0,0]=3 61 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 c07702 [0,1,0,0,0,1|1,0,0]=3 62 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 c04893 [0,1,0,0,0,1|0,0,0]=2 63 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 a08309 [0,1,0,0,0,1|0,0,0]=2 64 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl a05299 [0,1,0,0,0,1|0,0,1]=3 65 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 c02908 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 c06612 [0,1,0,0,0,1|0,0,0]=2 67 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 a01170 [0,1,0,0,0,1|1,0,0]=3 68 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 a03958 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 c03111 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 c05262 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 c02629 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 c07615 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 a08692 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 c03252 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 c07196 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 c03085 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.225 CC(=O)N(C)C1=CC=CC(N)=C1 c07573 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 c03083 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 c04930 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 c02408 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 c03591 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 c00859 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.371 O=C(CBr)NC1=CC=CC=C1F c03259 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.75 COC1=CC=CC=C1NC(C)=O a09114 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C c07681 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1Cl c07847 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 c08405 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.66 O=C(O)\C=C\C1=CC=CO1 a00387 [0,0,1,1,0,0|1,0,1]=4 89 B10R1.66 O=C(O)\C=C\C1=CC=CS1 a03813 [0,0,1,1,0,0|1,0,1]=4 90 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [0,0,0,1,0,1|0,0,1]=3 91 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 c07401 [0,1,0,1,0,0|1,0,0]=3 92 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 c08653 [0,0,0,0,0,2|1,0,1]=4