0 B8R1.1 CC1=CC(CBr)=NO1 CC10408 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CCl)=NO1 SPB01262 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CN)=NO1 CC10413 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC(CO)=NO1 CC10409 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=CC=C(C#N)S1 CC65016 [0,0,0,0,0,0|1,1,1]=3 5 B8R1.1 CC1=CC=C(CN)S1 CC65063 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.1 CC1=CSC(CN)=C1 CC30613 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 CC1=NC(CCl)=CS1 CD09497 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 CC1=NC(CN)=CS1 CC05713 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CC1=NC(CO)=CS1 CC05709 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.1 CC1=NOC(CN)=C1 CC27013 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CC1=NOC(CO)=C1 CC27009 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 CN1C=CC(CO)=N1 CC48309 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.1 CN1C=NC(CN)=C1 CC03613 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [0,0,0,0,0,0|1,1,2]=4 19 B8R1.1 OCC1=CC(Br)=CS1 CC28509 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 C#CC1=CC=CS1 CC13047 [1,0,0,0,0,0|1,1,1]=4 21 B7R1.1 NCC1=CN=CS1 MO08602 [1,0,0,0,0,0|2,1,0]=4 22 B7R1.1 NCC1=CSC=C1 CC13113 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 NCC1=NC=CS1 CC09513 [1,0,0,0,0,0|2,1,0]=4 24 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,0,0|1,0,2]=4 25 B7R1.1 OCC1=NC=CN1 CC08909 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 OCC1=NC=CS1 CC09509 [1,0,0,0,0,0|1,1,0]=3 27 B7R1.2 CC1=CC(C)=NO1 TL00573 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=COC(N)=N1 KM08202 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=NC(I)=CN1 MO00831 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 CN1C=CC(Cl)=N1 MO08357 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 CN1C=CC(I)=N1 CC48311 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.2 CN1C=CC(N)=N1 GK00321 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.7 CC1=CSC(CC#N)=N1 SB02109 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.7 CC1=NC(CCN)=CS1 CC54613 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.7 CC1=NC(CCO)=CS1 CC54609 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.7 CNCC1=CC(C)=CS1 CC30646 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.7 CNCC1=CC=C(C)S1 CC65096 [0,1,0,0,0,0|1,1,0]=3 38 B9R1.7 CNCC1=COC(C)=N1 CC57946 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.7 CNCC1=CSC(C)=N1 CC05746 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.21 CSC1=CC=C(C=O)S1 SEW03493 [0,1,0,0,0,0|0,1,2]=4 41 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,0,0|1,0,2]=4 42 B9R1.22 CC1=NN(C)C(CO)=C1 CC12509 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.22 CN1C=C(Br)C(CCl)=N1 CC63924 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.22 CN1C=C(Br)C(CO)=N1 CC63909 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [0,1,0,0,0,0|0,0,2]=3 46 B9R1.23 CC1=CC(CO)=NN1C CC12609 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,1,0,0,0,0|0,1,2]=4 48 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.4 CCO\C=C\C(=O)O RH00924 [0,0,1,0,0,0|3,0,0]=4 55 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [0,0,0,0,0,1|1,1,0]=3 56 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [0,0,0,0,0,1|2,0,0]=3 59 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [0,0,0,0,0,1|1,1,0]=3 60 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [0,0,0,0,0,1|1,0,0]=2 61 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [0,0,0,0,0,1|3,0,0]=4 63 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [0,0,0,0,0,1|2,0,0]=3 64 B9R1.2 OCC1=CC(Cl)=NC=C1 CC53609 [0,0,0,0,0,1|2,0,0]=3 65 B9R1.2 OCC1=CC=NC(F)=C1 NP45237 [0,0,0,0,0,1|2,0,0]=3 66 B6R1.2 BrC1=CC=CO1 CC02010 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.11 CC1=C(CN)OC=C1 CC55513 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.11 CC1=C(CO)C=CO1 CD10514 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.11 CN1C=CC=C1CN CC02713 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.11 CN1C=CN=C1CO CC20809 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.11 CN1N=CC=C1CO CC62309 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.11 OCC1=CSC=C1Br CC54209 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 SPB00433 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.8 OCC1=CC(Cl)=NC(Cl)=C1 RF01034 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,2,0,0,0,0|0,1,1]=4 82 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,2,0,0,0,0|0,0,1]=3 83 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [0,0,1,1,0,0|2,0,0]=4