0 B9R1.22 CC1=C(C=O)SC(Br)=C1 SC-32878 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.22 CC1=CC(Br)=C(C=O)O1 SC-41182 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.22 CC1=CC(C)=C(C=O)N1 SC-02528 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.22 CC1=NN(C)C(C#N)=C1 SC-93396 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.22 CC1=NN(C)C(C=O)=C1 SC-46099 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.22 CC1=NN(C)C(CCl)=C1 SC-43829 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.22 CC1=NN(C)C=C1C=O SC-82546 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.22 CN1N=C(Cl)C=C1C=O SC-45474 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 SC-25047 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 BrCC1=CN=C(Br)S1 SC-52949 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 CC1=CC=C(C#N)S1 SC-69277 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.1 CC1=CC=C(C=O)N1 SC-97579 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.1 CC1=CC=C(C=O)S1 SC-00934 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.1 CC1=NC(C=O)=CN1 SC-25211 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 CC1=NC(C=O)=CO1 SC-30620 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.1 CC1=NC(C=O)=CS1 SC-30898 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.1 CC1=NC=C(C=O)O1 SC-14501 [1,0,0,0,0,0|1,1,0]=3 17 B8R1.1 CC1=NC=C(C=O)O1 SC-65844 [1,0,0,0,0,0|1,1,0]=3 18 B8R1.1 CC1=NC=C(C=O)S1 SC-48442 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.1 CC1=NC=C(CN)S1 SC-72927 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.1 CC1=NC=C(CN)S1 SC-73632 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.1 CC1=NN=C(C=O)S1 SC-93436 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 CC1=NN=C(CCl)S1 SC-93437 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 CC1=NNC(C=O)=C1 SC-66086 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CN1C=C(C=O)C=N1 SC-46129 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 N#CC1=CN=C(Cl)S1 SC-41522 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.1 N#CC1=CN=C(N)S1 SC-04978 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.1 NC1=NC=C(C=O)S1 SC-00024 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.1 NCC1=CN=C(Cl)S1 SC-20664 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 NCC1=CN=C(Cl)S1 SC-A2061 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.1 O=CC1=CC=C(Br)S1 SC-23891 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.1 O=CC1=CC=C(Cl)S1 SC-06542 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 O=CC1=CN=C(Br)S1 SC-26494 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.1 O=CC1=CN=C(Cl)S1 SC-49175 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.1 OCC1=CN=C(Br)S1 SC-27293 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.11 CC1=C(C=O)SN=C1 SC-81958 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.11 CN1N=CC=C1C=O SC-45462 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.11 O=CC1=C(Br)C=CS1 SC-07353 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.18 CC1=C(Br)SC(N)=N1 SC-43964 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.18 CC1=C(Cl)SC(Cl)=C1 SC-58130 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.18 CC1=NC(C)=C(Br)S1 SC-03123 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.18 CC1=NN(C)C(N)=C1 SC-03762 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.18 CC1=NN(C)C(O)=C1 SC-49399 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.18 CC1=NN(C)C=C1Br SC-93433 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.18 CC1=NN(C)C=C1N SC-48806 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 SC-A4022 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 SC-44005 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 SC-99315 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SC-05457 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.59 CC1=NN(C)C=C1C(=O)O SC-15048 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.8 CC1=CC(C=O)=CC(C)=N1 SC-49833 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.25 CC1=CC=C(C=O)C(C)=C1 SC-01394 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.25 CC1=NC(Cl)=CC=C1C=O SC-28979 [0,0,0,0,0,1|3,0,0]=4 53 B7R1.1 C=CC1=CC=CS1 SC-22334 [2,0,0,0,0,0|1,0,0]=3 54 B7R1.1 C=CN1C=CN=C1 SC-77475 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 NCC1=CN=CS1 SC-47837 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.1 O=CC1=CN=CO1 SC-91872 [2,0,0,0,0,0|1,1,0]=4 57 B7R1.1 O=CC1=CN=CS1 SC-27599 [2,0,0,0,0,0|1,0,0]=3 58 B7R1.2 BrC1=CN=C(Br)S1 SC-20348 [2,0,0,0,0,0|2,0,0]=4 59 B7R1.2 BrC1=CSC(Br)=N1 SC-15384 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.2 CC1=CC=C(I)S1 SC-45125 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.2 CC1=CN=C(Br)S1 SC-26052 [2,0,0,0,0,0|1,0,1]=4 62 B7R1.2 CC1=CN=C(N)S1 SC-06546 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.2 CC1=CNC(C)=C1 SC-77541 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.2 CC1=CNC(C)=N1 SC-75359 [2,0,0,0,0,0|1,0,0]=3 65 B7R1.2 CC1=COC(N)=N1 SC-44401 [2,0,0,0,0,0|1,1,0]=4 66 B7R1.2 CC1=CSC(Br)=N1 SC-27043 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.2 CC1=CSC(C)=C1 SC-81879 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.2 CC1=CSC(C)=N1 SC-05201 [2,0,0,0,0,0|0,0,0]=2 69 B7R1.2 CC1=CSC(Cl)=N1 SC-48046 [2,0,0,0,0,0|1,0,0]=3 70 B7R1.2 CC1=CSC(N)=N1 SC-01453 [2,0,0,0,0,0|1,0,0]=3 71 B7R1.2 CC1=NC(Br)=CN1 SC-01497 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.2 CC1=NC(Br)=CS1 SC-84151 [2,0,0,0,0,0|1,0,0]=3 73 B7R1.2 CC1=NC=C(I)N1 SC-27923 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.2 CC1=NN=C(Br)S1 SC-51083 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.2 CC1=NSC(Cl)=N1 SC-31964 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.2 CC1=NSC(N)=N1 SC-46038 [2,0,0,0,0,0|2,0,0]=4 77 B7R1.2 ClC1=CSC(Cl)=N1 SC-16489 [2,0,0,0,0,0|2,0,0]=4 78 B7R1.2 ClC1=NC=C(Br)S1 SC-52809 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.2 NC1=NC(Br)=CS1 SC-48707 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.2 NC1=NC(Cl)=CS1 SC-44097 [2,0,0,0,0,0|2,0,0]=4 81 B7R1.2 NC1=NC=C(Br)S1 SC-12015 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.2 NC1=NC=C(Br)S1 SC-72951 [2,0,0,0,0,0|2,0,0]=4 83 B7R1.2 NC1=NC=C(Cl)S1 SC-93930 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.2 NC1=NC=C(F)S1 SC-82219 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.4 CC1=C(Br)SC=C1 SC-01071 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.4 CC1=C(Br)SC=N1 SC-05635 [2,0,0,0,0,0|1,0,0]=3 87 B7R1.4 CC1=C(C)NC=N1 SC-82371 [2,0,0,0,0,0|1,0,1]=4 88 B7R1.4 CC1=C(C)NC=N1 SC-97464 [2,0,0,0,0,0|1,0,1]=4 89 B9R1.35 CC(=O)C1=CC=C(C)S1 SC-03600 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.35 CC1=NC=C(C(=O)O)O1 SC-43630 [1,1,0,0,0,0|1,1,0]=4 91 B9R1.35 CC1=NC=C(C(=O)O)S1 SC-31817 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.35 NC(=O)C1=CN=C(Br)S1 SC-45106 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.35 NC1=NC=C(C(=O)O)S1 SC-27087 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.35 O=C(O)C1=CN=C(Br)S1 SC-53530 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.33 CC1=C(CCO)SC=N1 SC-00942 [1,1,0,0,0,0|0,0,2]=4 96 B9R1.41 CC1=C(C(=O)O)SN=N1 SC-01909 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.41 O=C(O)C1=C(Br)N=CS1 SC-A2901 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 SC-41966 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 SC-47659 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 SC-04040 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.646 CC1=NC(C)=C(S(=O)(=O)Cl)S1 SC-17221 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.69 CC1=CC=C(Br)C(C)=N1 SC-17067 [0,0,1,1,0,0|2,0,0]=4 103 B9R1.69 CC1=CC=C(N)C(C)=N1 SC-13964 [0,0,1,1,0,0|2,0,0]=4 104 B9R1.34 CC1=CC(Br)=CC(C)=N1 SC-20049 [0,0,1,1,0,0|2,0,0]=4 105 B9R1.34 CC1=CC(C)=NC(C)=C1 SC-25605 [0,0,1,1,0,0|1,0,1]=4 106 B9R1.34 CC1=CC(I)=CC(C)=N1 SC-24095 [0,0,1,1,0,0|2,0,0]=4 107 B9R1.34 CC1=CC(N)=CC(C)=N1 SC-53081 [0,0,1,1,0,0|2,0,0]=4 108 B9R1.34 CC1=CC(O)=CC(C)=N1 SC-00917 [0,0,1,1,0,0|2,0,0]=4 109 B9R1.34 CC1=NC(C)=NC(O)=C1 SC-45941 [0,0,1,1,0,0|2,0,0]=4 110 B9R2.3 C1=CC2=C(C=CS2)S1 SC-23745 [1,0,0,1,0,0|2,0,0]=4 111 B9R2.3 C1=CC2=C(N=CS2)N1 SC-90504 [1,0,0,1,0,0|1,0,0]=3 112 B11R2.36 CC1=CC=C2C=CNC2=N1 SC-66130 [0,0,0,1,0,1|2,0,0]=4 113 B11R2.10 BrC1=NC2=CC=CC=C2S1 SC-28333 [0,1,0,1,0,0|1,0,1]=4 114 B11R2.10 CC1=NC2=CC=CC=C2N1 SC-05758 [0,1,0,1,0,0|1,0,1]=4 115 B11R2.10 CC1=NC2=CC=CN=C2N1 SC-90913 [0,1,0,1,0,0|1,0,1]=4 116 B11R2.10 ClC1=NC2=CC=CC=C2S1 SC-22632 [0,1,0,1,0,0|1,0,1]=4 117 B11R2.10 ClC1=NC2=NC=CC=C2S1 SC-45357 [0,1,0,1,0,0|1,0,1]=4 118 B11R2.10 NC1=NC2=CC=CN=C2S1 SC-32713 [0,1,0,1,0,0|1,0,1]=4 119 B11R2.10 SC1=NC2=C(C=CC=C2)S1 SC-18901 [0,1,0,1,0,0|1,0,1]=4 120 B11R2.10 [S-]C1=NC2=C(C=CC=C2)S1 SC-18876 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.1 C=CC1=CN=C(Cl)C=C1 SC-93035 [1,0,0,0,0,1|2,0,0]=4 122 B9R1.1 CC1=NC=C(C=O)C=C1 SC-02102 [1,0,0,0,0,1|2,0,0]=4 123 B9R1.1 CC1=NC=C(C=O)C=N1 SC-14585 [1,0,0,0,0,1|2,0,0]=4