0 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 CC1=C(Cl)C=C(C(=N)N)C=C1 RJF01058 [0,1,0,0,0,0|3,0,0]=4 3 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 SPB07361 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 SPB07589 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.23 CC1=CN=CC(C(=O)NN)=C1 KM10013 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 RF04619 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.23 C\C(=N/O)C1=CC(Br)=CC=C1 KM09160 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.23 NNC(=O)C1=CC(Br)=CN=C1 RDP00027 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.74 CC1=CC(=O)OC(C(N)=O)=C1 SEW01574 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.74 CN(C)C1=CC(Cl)=CC(Cl)=C1 SEW05711 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.74 N=C(N)C1=CC(Cl)=CC(Cl)=C1 SPB00407 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.74 NC(=S)C1=CC(Br)=CC(Br)=C1 SEW05752 [0,1,0,0,0,0|2,1,0]=4 14 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CD11016 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.167 CC1=C([N+](=O)[O-])C=C(I)C=C1 SEW05708 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] BTB09868 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 RJC00415 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 BTB11561 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O SPB06836 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.266 COC1=NC=CC(C(N)=O)=C1 SPB06368 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.41 NC(=O)C1=C(Br)C=CS1 SEW03839 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 NC(=O)C1=C(Cl)C=CS1 GK01727 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 NC(=O)C1=C(N)C=CS1 GK00439 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.41 O=C(O)C1=C(Br)C=CS1 SEW01838 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.41 O=C(O)C1=C(Cl)C=CS1 GK01306 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [0,0,0,0,0,1|1,0,0]=2 35 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 RH01166 [0,0,0,0,0,1|2,1,0]=4 36 B11R1.157 NC(=S)NC1=CC(F)=CC=C1 SEW04593 [0,0,0,0,0,1|2,1,0]=4 37 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 BTB14052 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [1,1,0,0,0,0|1,1,0]=4 41 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.14 COC(=O)C1=CC=C(Br)O1 KM08612 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.39 COC1=CSC=C1C(=O)O KM00448 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.39 COC1=CSC=C1C(N)=O KM01620 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.149 COC(=O)C1=C(N)C=CS1 SB01239 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.149 COC(=O)C1=C(N)SC=C1 GK02784 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 BTB05228 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.19 CC(=O)NC1=CC(Cl)=C(Br)C=C1 SPB06382 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 TL00758 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 RDR01104 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.19 CC(=O)NC1=CC=C(Br)C(C)=C1 KM10161 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.19 CC1=CC=C(NC(N)=O)C=C1Cl JA00158 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.19 NC(=O)NC1=CC(F)=C(F)C=C1 CD02041 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [0,1,0,0,0,1|1,0,0]=3 60 B12R1.50 COC(=S)NC1=CC(Cl)=CC=C1 RH01095 [0,1,0,0,0,1|1,1,0]=4 61 B12R1.101 CC(=O)NC1=NC(C)=CC(O)=N1 RDR01727 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 RJC01302 [0,1,0,0,0,1|1,0,0]=3 63 B12R1.127 CC1=CC=C(Cl)C=C1NC(N)=O JA00159 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.127 NC(=O)NC1=CC(Cl)=CC=C1Cl CD02675 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 JFD03467 [0,1,0,0,0,1|1,0,0]=3 66 B12R1.225 O=C(O)C(O)C1=CC(Cl)=CC=C1 BTB14381 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.438 C#CC1=CC=CC(NC(C)=O)=C1 RF01853 [0,1,0,0,0,1|1,0,0]=3 68 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 JA00160 [0,1,0,0,0,1|1,0,0]=3 69 B12R1.438 COC1=CC(NC(N)=S)=CC=C1 RB00291 [0,1,0,0,0,1|1,1,0]=4 70 B12R1.438 COC1=CC=CC(CC(N)=O)=C1 BTB09254 [0,1,0,0,0,1|1,0,0]=3 71 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 MB00202 [0,1,0,0,0,1|0,0,0]=2 72 B12R1.438 CSC1=CC=CC(NC(N)=O)=C1 S04034 [0,1,0,0,0,1|1,1,0]=4 73 B12R1.876 C=C(C)C1=C(O)C(=O)C=CC=C1 GK02122 [0,1,0,0,0,1|1,0,1]=4 74 B12R1.48 CC(=O)C1=NC(S)=C(C#N)C=C1 SPB05369 [0,2,0,0,0,0|1,1,0]=4 75 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl BTB15028 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.367 C\C(=N/O)C1=CC(Cl)=C(Cl)C=C1 KM06672 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.367 NNC(=O)C1=CC(F)=C(F)C=C1 SPB07437 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 KM01815 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 RDP00009 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 KM01406 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.354 CC1=CC=C(N)C(C(=O)NN)=C1 BTB01810 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.354 CNC(=O)C1=C(I)C=CC(C)=C1 RJC00414 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.354 CNC(=O)C1=C(I)C=CC(Cl)=C1 RJC00416 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=C1 SEW04137 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.358 COC(=O)C1=CC(C)=CC(=O)O1 SEW01567 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=C1 KM02512 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.358 COC(=O)C1=NC(O)=NC(C)=C1 SPB06320 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 BTB06864 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.46 CNC1=C(C(N)=O)C=C(Cl)C=C1 BTB01822 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 JFD00869 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 BTB07533 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=N1 SB01598 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.258 O=C(O)C1=CN=CC(C(=O)O)=C1 BTB09654 [0,2,0,0,0,0|2,0,0]=4 95 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)S1 XBX00175 [0,0,0,1,0,1|1,1,0]=4 96 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 JFD00620 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 BTB09256 [0,0,0,1,0,1|2,0,0]=4 98 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,1,0,1,0,0|1,1,0]=4 99 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,0,0,0,0,1|1,1,0]=4 100 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 S12185 [0,0,0,0,0,2|2,0,0]=4