0 B8R1.1 CC1=CC=C(C#N)S1 CC65016 [0,0,0,0,0,0|1,1,1]=3 1 B8R1.1 CC1=CC=C(CN)S1 CC65063 [0,0,0,0,0,0|1,1,1]=3 2 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 CC1=CSC(CN)=C1 CC30613 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.1 CC1=NC(CCl)=CS1 CD09497 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 CC1=NC(CN)=CS1 CC05713 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 CC1=NC(CO)=CS1 CC05709 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.1 CN1C=CC(CO)=N1 CC48309 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [0,0,0,0,0,0|1,1,0]=2 13 B7R1.1 C#CC1=CC=CS1 CC13047 [1,0,0,0,0,0|1,1,1]=4 14 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.1 O=CC1=CNC=N1 CC08804 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 O=CC1=CSN=N1 SP01373 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=COC(N)=N1 KM08202 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 CC1=NC(I)=CN1 MO00831 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 CN1C=CC(Cl)=N1 MO08357 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.2 CN1C=CC(I)=N1 CC48311 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CN1C=CC(N)=N1 GK00321 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.7 CNCC1=CC=C(C)S1 CC65096 [0,1,0,0,0,0|1,1,1]=4 23 B9R1.21 CSC1=CC=C(C=O)S1 SEW03493 [0,1,0,0,0,0|0,1,0]=2 24 B9R1.21 N#CC1=CC=C(C=O)S1 MAY00111 [0,1,0,0,0,0|0,1,1]=3 25 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.22 CN1C=C(C=O)C(N)=N1 MO07854 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.22 CN1C=C(Cl)C(C=O)=N1 RF03946 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [0,1,0,0,0,0|0,0,0]=1 30 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,1,0,0,0,0|0,1,0]=2 34 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CC1=NC(C(=N)N)=CS1 SPB03559 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.35 CC1=NC(C(N)=S)=CN1 SB02117 [0,1,0,0,0,0|2,1,0]=4 40 B9R1.35 CC1=NC(C(N)=S)=CS1 SPB02802 [0,1,0,0,0,0|2,1,0]=4 41 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.35 CN1C=C(C(=O)Cl)C=N1 CC77402 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 CN1C=CC(C(=O)Cl)=N1 CC48302 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [0,1,0,0,0,0|2,1,0]=4 48 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.132 CC1=NC=C(C=O)N1C CC25104 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.132 CN1N=CC(C=O)=C1N MO07848 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.4 CC(C)=CCOC=O RDP00092 [0,0,1,0,0,0|2,0,1]=4 52 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [0,0,0,0,0,1|1,1,1]=4 53 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [0,0,0,0,0,1|1,1,1]=4 56 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [0,0,0,0,0,1|1,0,2]=4 57 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [0,0,0,0,0,1|2,0,0]=3 60 B6R1.2 BrC1=CC=CO1 CC02010 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.7 NC(=S)C1=CC=NO1 SPB04448 [1,1,0,0,0,0|1,1,0]=4 63 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [1,1,0,0,0,0|1,1,0]=4 68 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [1,1,0,0,0,0|1,1,0]=4 72 B8R1.11 CC1=C(CN)OC=C1 CC55513 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.11 CN1C=NC=C1C=O CC23604 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.11 CN1N=CC=C1C=O CC62304 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [1,1,0,0,0,0|0,1,0]=3 76 B8R1.11 O=CC1=C(Br)C=NN1 RF03950 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [1,1,0,0,0,0|0,1,0]=3 79 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [0,1,0,0,0,1|1,0,0]=3 80 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.172 N#CC1=CC=CC(C=O)=C1 SEW02565 [0,1,0,0,0,1|1,0,1]=4 92 B10R1.172 O=CC1=CC(CBr)=CC=C1 MO07388 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [0,2,0,0,0,0|0,1,1]=4 94 B10R1.31 CC(=O)C1=CC=C(C=O)S1 MO01240 [0,2,0,0,0,0|0,1,0]=3 95 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,2,0,0,0,0|0,1,0]=3 96 B10R1.35 CCC1=NC(C)=C(C=O)N1 SB01365 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.59 CC(=O)N1CC(C)=CC1=O BTB09313 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.59 CC1=NC(C(=O)Cl)=C(C)O1 CC26802 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,2,0,0,0,0|1,1,0]=4 103 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 CC63901 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,2,0,0,0,0|0,0,0]=2 105 B10R1.58 CC1=CC(C(=O)Cl)=NN1C CC12602 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.58 CC1=CC(C(=O)O)=NN1C CC12601 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 CC65003 [0,2,0,0,0,0|1,1,0]=4 108 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.5 CC1=CC=CNC1=O CD09405 [0,0,1,1,0,0|2,0,0]=4