0 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,0,0,0,0,0|0,1,1]=3 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 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.81 CC1=CC=C(N=C=S)C(C)=C1 SB01620 [0,1,0,0,0,0|0,1,1]=3 29 B11R1.81 O\N=C\C1=CC=C(Cl)C=C1Cl SPB04865 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SB01749 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,1,0,0,0,0|2,0,0]=3 36 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,0,0,0,1,0|1,0,0]=2 40 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.22 CN1C=C(C=O)C(N)=N1 MO07854 [0,0,0,0,1,0|3,0,0]=4 42 B9R1.22 CN1C=C(Cl)C(C=O)=N1 RF03946 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,0,0,0,1,0|2,0,1]=4 44 B9R1.132 CC1=NC=C(C=O)N1C CC25104 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.132 CN1N=CC(C=O)=C1N MO07848 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 CC1=CC=CNC1=O CD09405 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [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 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [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|1,0,0]=3 62 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [1,1,0,0,0,0|1,0,0]=3 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 B10R1.22 CC1=C(N)C(N)=CC(Br)=C1 MO07383 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.22 CC1=C(O)C(Cl)=CC(Br)=C1 SB01216 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.22 CC1=CC(I)=CC(C)=C1O RDP00223 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 TL00770 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.118 CC1=CC(I)=C(C)C=C1I BTB13663 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.118 CC1=CC(N)=C(C)C=C1Cl MAY00162 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.35 CCC1=NC(C)=C(C=O)N1 SB01365 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.59 CC1=NC(C(=O)Cl)=C(C)O1 CC26802 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.256 CC1=NN(C)C(C)=C1C=O CC14704 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.256 CC1=NN(C)C(Cl)=C1C=O EN00019 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 SB00910 [0,2,0,0,0,0|0,0,0]=2 83 B12R1.448 CC1=C(C)C=C(CCl)C(CCl)=C1 BTB00413 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.450 COC1=CC(C)=C(OC)C=C1I RH01788 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.450 COC1=CC(F)=C(C=O)C=C1F MAY00189 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.48 CN(C)C1=CC(Cl)=C(C=O)C=C1 SEW05671 [0,2,0,0,0,0|1,0,0]=3 89 B12R2.132 CN1C=CC2=CC=C(Br)C=C21 CC44210 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.246 CC1=CC2=C(OC=C2)C(Br)=C1 MAY00316 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=C2 MO07070 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,1,0,1,0,0|1,0,0]=3 96 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.44 NCC1=CC=C2OCCC2=C1 CC00813 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [1,0,0,0,1,0|2,0,0]=4 99 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [1,0,0,0,1,0|2,0,0]=4 100 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [1,0,0,0,1,0|2,0,0]=4 101 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [1,0,0,0,1,0|2,0,0]=4 102 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [1,0,0,0,1,0|2,0,0]=4 103 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,0,0,0,1,0|1,0,0]=3 105 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [1,0,0,0,1,0|2,0,0]=4 106 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.11 CN1C=NC=C1C=O CC23604 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.11 CN1N=CC=C1C=O CC62304 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [1,0,0,0,1,0|2,0,0]=4