0 B11R1.167 CC1=C([N+](=O)[O-])C=C(I)C=C1 SEW05708 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] BTB09868 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 RJC00415 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 BTB11561 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O SPB06836 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O SPB06123 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CN=C1O SPB06124 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [1,0,0,0,0,0|2,1,0]=4 12 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.46 CNC1=C(C(N)=O)C=C(Cl)C=C1 BTB01822 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.46 COC1=C([N+](=O)[O-])N=C(C)C=C1 RH01350 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl BTB15028 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.354 CC1=CC=C(N)C(C(=O)NN)=C1 BTB01810 [0,1,0,0,0,0|2,0,0]=3 18 B12R1.354 CNC(=O)C1=C(I)C=CC(C)=C1 RJC00414 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.354 CNC(=O)C1=C(I)C=CC(Cl)=C1 RJC00416 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 JFD00869 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 BTB07533 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,0,0,1,0,0|2,1,0]=4 24 B10R1.192 CC1=CSC(N)=C1C(N)=O GK00199 [0,0,0,0,1,0|3,0,0]=4 25 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 RJC01302 [0,0,0,0,0,1|1,0,0]=2 26 B12R1.127 CC1=CC=C(Cl)C=C1NC(N)=O JA00159 [0,0,0,0,0,1|3,0,0]=4 27 B12R1.127 NC(=O)NC1=CC(Cl)=CC=C1Cl CD02675 [0,0,0,0,0,1|3,0,0]=4 28 B9R1.69 CC1=CC(I)=CN=C1O RF04498 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.156 O=C(O)C1=C(F)C=CC=C1F SB01105 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.156 O=C(O)C1=C(I)C=CC=C1F TL00162 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 NRB00705 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.222 C\C(=N/O)C1=C(Cl)C=CC=C1 KM09168 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.222 NNC(=O)C1=CC=CC=C1Br RDP00172 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.222 NNC(=O)C1=CC=CC=C1O SEW04563 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 SPB07589 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 KM10013 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 RF04619 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.23 C\C(=N/O)C1=CC(Br)=CC=C1 KM09160 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 SEW01574 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CD11016 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.266 COC1=NC=CC(C(N)=O)=C1 SPB06368 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 SP00004 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.471 CSC1=C(C(C)=O)C(C)=CS1 KM02730 [0,1,0,0,1,0|1,1,0]=4 48 B13R1.876 CC1=CC(C)=C(NC(N)=O)C=C1C PHG00002 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.897 CC1=CC=C(C)C(C(O)C(=O)O)=C1 BTB06663 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.2872 CCC(=O)NC1=CC(F)=CC=C1C RH00098 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.3089 COC1=C(NC(C)=O)C=C(Cl)C=C1 RH00651 [0,1,0,0,0,1|1,0,0]=3 52 B13R1.2431 CNC(=O)C1=C(Br)C=CC(OC)=C1 RJC00412 [0,2,0,0,0,0|1,0,0]=3 53 B13R1.2431 COC1=CC=C(Br)C(C(=O)NN)=C1 BTB06852 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.4789 C\C(=N/O)C1=CC(Cl)=CC(Cl)=C1O CD03801 [0,2,0,0,0,0|1,0,1]=4 55 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.162 CC1=CC2=C(CCCC2=O)N=C1 RH01541 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.162 CC1=CC2=C(CCCC2=O)N=C1 RH01668 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.162 O=C1C=COC2=CC=C(Cl)C=C12 BTB12537 [0,1,0,1,0,0|1,0,1]=4 59 B13R2.162 O=C1CCOC2=C1C=C(Cl)C=C2 SEW01816 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.162 O=C1CCOC2=C1C=C(F)C=C2 SEW01443 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.162 O=C1CCSC2=C1C=C(Cl)C=C2 SEW00590 [0,1,0,1,0,0|1,1,0]=4 62 B13R2.162 O=C1CCSC2=C1C=C(F)C=C2 SEW05178 [0,1,0,1,0,0|1,1,0]=4 63 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O JA00002 [0,1,0,1,0,0|1,0,1]=4 64 B13R2.3028 CC1=CC2=C(C=C1)SC(=O)C2=O KM09178 [0,1,0,1,0,0|0,1,1]=4 65 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [1,0,0,0,1,0|2,0,0]=4 66 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [1,0,0,0,0,1|1,0,0]=3 67 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 RH01166 [1,0,0,0,0,1|1,1,0]=4