0 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [0,0,0,0,0,0|1,1,0]=2 3 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] SPB06058 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [0,1,0,0,0,0|1,1,0]=3 6 B11R1.53 CSC1=NC=CC=C1C(N)=O BTB06434 [0,1,0,0,0,0|2,1,0]=4 7 B11R1.87 CC1=C(S(=O)(=O)O)C=NC=C1 JFD03918 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.156 NC(=O)C1=C(Cl)C=NC=C1Cl BTB15253 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.156 O=C(O)C1=C(F)C=CC=C1F SB01105 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.156 O=C(O)C1=C(I)C=CC=C1F TL00162 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.156 O=[N+]([O-])C1=C(O)C=CN=C1O SPB07414 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.166 CC1=CC=C(C(N)=S)C(O)=N1 FM00043 [0,1,0,0,0,0|2,1,0]=4 15 B11R1.167 CC1=C([N+](=O)[O-])C=C(I)C=C1 SEW05708 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 BTB11559 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.167 CC1=CC(C(N)=O)=C(I)C=C1 RJC00413 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.167 CC1=CC=C(Br)C=C1[N+](=O)[O-] BTB09868 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.167 NC(=O)C1=C(I)C=CC(Cl)=C1 RJC00415 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 BTB11561 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O SPB06836 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O SPB06123 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CN=C1O SPB06124 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 NRB00705 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.222 COC(=O)C1=NC=CN=C1N SEW03162 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.222 C\C(=N/O)C1=C(Cl)C=CC=C1 KM09168 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.222 NNC(=O)C1=CC=CC=C1Br RDP00172 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.222 NNC(=O)C1=CC=CC=C1O SEW04563 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.222 NNC(=O)C1=CC=CN=C1N KM07915 [0,1,0,0,0,0|3,0,0]=4 30 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [0,0,0,1,0,0|1,1,0]=3 31 B9R1.41 NC(=O)C1=C(Br)C=CS1 SEW03839 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.41 NC(=O)C1=C(Cl)C=CS1 GK01727 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.41 NC(=O)C1=C(N)C=CS1 GK00439 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.41 O=C(O)C1=C(Br)C=CS1 SEW01838 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.41 O=C(O)C1=C(Cl)C=CS1 GK01306 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.86 CC1=CC=CC=C1NC(N)=S SPB06632 [0,0,0,0,0,1|2,1,0]=4 40 B11R1.86 NC(=S)CC1=C(Cl)C=CC=C1 DP01383 [0,0,0,0,0,1|2,1,0]=4 41 B11R1.86 NC(=S)NC1=CC=CC=C1Br SPB06634 [0,0,0,0,0,1|2,1,0]=4 42 B11R1.86 NC(=S)NC1=CC=CC=C1F SPB06700 [0,0,0,0,0,1|2,1,0]=4 43 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [0,0,0,0,0,1|1,0,0]=2 44 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.39 COC1=CSC=C1C(=O)O KM00448 [0,1,0,0,1,0|1,0,0]=3 50 B10R1.39 COC1=CSC=C1C(N)=O KM01620 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.149 COC(=O)C1=C(N)C=CS1 SB01239 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.149 COC(=O)C1=C(N)SC=C1 GK02784 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [0,1,0,0,1,0|1,0,0]=3 55 B12R1.75 CCC1=CC=CC=C1NC(C)=O TL00639 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 SPB06629 [0,1,0,0,0,1|1,1,0]=4 57 B12R1.75 COC1=CC=CC=C1NC(N)=O JA00157 [0,1,0,0,0,1|1,0,0]=3 58 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 RDR03335 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 RJC01302 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.127 CC1=CC=C(Cl)C=C1NC(N)=O JA00159 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.127 NC(=O)NC1=CC(Cl)=CC=C1Cl CD02675 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 JFD03467 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 BTB04571 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.233 CC(=O)NC1=C(C)C=C(I)C=C1 RDP00225 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 TL00885 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 TL00914 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 BTB03441 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F BTB07539 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C KM08882 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C TL00898 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Cl BTB05770 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.233 CC1=CC(Cl)=CC=C1NC(N)=O JA00161 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.233 NC(=O)CC1=C(Cl)C=C(F)C=C1 TL01011 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.233 NC(=O)NC1=C(F)C=C(F)C=C1 KM10031 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.371 CNC(=O)SC1=C(Cl)C=CC=C1 EN00233 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.371 COC(=S)NC1=CC=CC=C1Cl SEW05584 [0,1,0,0,0,1|1,1,0]=4 77 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1F BTB04051 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1F CD04232 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.876 C=C(C)C1=C(O)C(=O)C=CC=C1 GK02122 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.46 CNC1=C(C(N)=O)C=C(Cl)C=C1 BTB01822 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.77 CNC1=CC=CC=C1C(=O)NN DP01747 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.77 COC(=O)C1=CC=CN=C1SC BTB06827 [0,2,0,0,0,0|1,1,0]=4 83 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 SB02021 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O BTB07953 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.283 CCSC1=NC=CC=C1C(=O)O BTB06379 [0,2,0,0,0,0|1,1,0]=4 86 B12R1.283 O=[N+]([O-])C1=CC=CC=C1\C=N\O RJC02279 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.1000 CC(=O)C1=C(O)C=C(C)OC1=O RJC00983 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.1000 CC1=C(C(=O)O)C(O)=NC(O)=C1 RF00769 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.1000 CC1=CC(=O)OC(C)=C1C(=O)O KM09734 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(O)=N1 RF00089 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.3441 NNC(=O)C1=C(F)C=CC=C1F CD04003 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.3441 N\C(=N/O)C1=C(Cl)C=CC=C1Cl SPB00002 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.24 N\C(=N/O)C1=C(Cl)C(Cl)=CC=C1 SPB01106 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.511 NC1=C(C(=O)O)C=C(Br)C=C1Br BTB01924 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl BTB15028 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.1703 C\C(=N/O)C1=CC=C(Cl)C=C1Cl KM06478 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl BTB08025 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.1703 N\C(=N/O)C1=C(F)C=C(F)C=C1 MGH00219 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.354 CC1=CC=C(N)C(C(=O)NN)=C1 BTB01810 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.354 CNC(=O)C1=C(I)C=CC(C)=C1 RJC00414 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.354 CNC(=O)C1=C(I)C=CC(Cl)=C1 RJC00416 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 JFD00869 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.243 N#C\C(=N/O)C1=CC=CC=C1Cl SPB00254 [0,2,0,0,0,0|2,0,0]=4 104 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [0,0,0,1,0,1|1,0,0]=3 105 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [0,0,0,1,0,1|1,1,0]=4 106 B12R2.1081 O=C1CSCC2=C1C=CC=C2 CD04109 [0,1,0,1,0,0|1,1,0]=4 107 B12R2.1081 OC1CCOC2=C1C=CC=C2 JFD00618 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.2028 CN1SC(=O)C2=C1C=CC=C2 BTB03211 [0,1,0,1,0,0|1,1,0]=4 109 B12R2.203 O=C1NNC2=CC=CC(F)=C12 HTS01520 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 RJC01116 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 RF01288 [0,1,0,1,0,0|1,0,0]=3 112 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,0,0,0,0,2|2,0,0]=4