0 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,0,0,0,0,0|0,1,1]=3 7 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SB00932 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 NP43106 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 NP43582 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.21 CC1=CC=C(B(O)O)C=C1C AC35928 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 MO07903 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 SPB07126 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SB01749 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,0,0,0,1,0|2,0,0]=3 39 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.35 CN1C=C(C(=O)Cl)C=N1 CC77402 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.35 CN1C=CC(C(=O)Cl)=N1 CC48302 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,0,0,0,1,0|3,0,0]=4 48 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,0,0,0,0,1|2,1,0]=4 49 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [2,0,0,0,0,0|1,0,1]=4 50 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.14 COC(=O)C1=CN(C)C=N1 CC03622 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.14 COC(=O)C1=NOC(C)=C1 CC10422 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [0,1,0,0,1,0|1,0,1]=4 75 B10R1.31 CC(=O)C1=CC=C(C=O)S1 MO01240 [0,1,0,0,1,0|1,0,1]=4 76 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.59 CC(=O)N1CC(C)=CC1=O BTB09313 [0,1,0,0,1,0|1,0,1]=4 80 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BTB13402 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,1,0,0,0,1|1,0,0]=3 83 B12R1.5 COC(=O)C1=CN=C(SC)N=C1 MO07902 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 CD00356 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 RH01075 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.6 CCC1=CC=C(S(=O)(=O)Cl)C=C1 BTB10241 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 MO00894 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.23 CC1=C(Cl)C=C(S(=O)(=O)Cl)C=C1 TL00685 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 MO07323 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 RDP00052 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 TL00703 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=C1 NP43794 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.367 NNC(=O)C1=CC(Cl)=C(Cl)C=C1 TL00776 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.1005 CC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl KM08058 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,2,0,0,0,0|0,0,0]=2 97 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=C2 MO07070 [0,0,0,1,0,1|1,0,1]=4 98 B12R2.606 CC1=NC2=C(C=C(I)C=C2)S1 CC54711 [0,0,0,1,0,1|1,1,0]=4 99 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,0,0,1,0,1|2,0,0]=4 100 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,0,0,1,0,1|1,0,0]=3 101 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [1,0,0,0,1,0|2,0,0]=4 105 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [1,0,0,0,1,0|2,0,0]=4 106 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [1,0,0,0,0,1|2,0,0]=4 113 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,0,0,0,0,2|2,0,0]=4 114 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,0,0,0,0,2|2,0,0]=4