0 B9R1.22 CC1=NC(C=O)=C(C)N1 BB31-4684 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.22 CC1=NN(C)C(C#N)=C1 BB31-4617 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.22 NC1=NC(Cl)=C(C=O)S1 BB52-1748 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.22 OCC1=C(Br)N=C(Br)S1 BB32-0508 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 C#CC1=CC=C(C)S1 BB31-6813 [1,0,0,0,0,0|1,0,2]=4 5 B8R1.1 C(=O)C1=CC=C(F)S1 BB05-4502 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 CC1=NC(C=O)=CO1 BB52-2373 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CC1=NC=C(CO)S1 BB32-2642 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.1 CC1=NN=C(C=O)S1 BB32-3387 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.1 CSC1=NN=C(C)S1 BB32-0832 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.1 NCC1=CN=C(Br)S1 BB31-0053 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.11 CC1=C(C=O)SN=N1 BB31-1759 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.11 CC1=C(CN)SN=N1 BB05-4235 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.11 CC1=C(CO)SN=N1 BB05-4202 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.11 OCC1=C(Br)N=CS1 BB31-4404 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.18 BrC1=NC(Br)=C(Br)S1 BB32-3460 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.18 CC1=CC(Br)=C(C)S1 BB31-8009 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.18 CC1=NC(Br)=C(C)N1 BB52-6877 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.18 CC1=NN(C)C(F)=C1 BB05-5043 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.18 CC1=NN(C)C=C1N BB31-3861 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.18 ClC1=NC(Cl)=C(Cl)S1 BB31-7589 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 BB31-7523 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 BB52-1883 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 BB31-6468 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BB52-2375 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.59 O=C(O)C1=C(Cl)N=C(Br)S1 BB31-2468 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.59 O=C(O)C1=C(Cl)N=C(Cl)S1 BB32-3285 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.130 CC1=NN(C)C=C1\C=N\O BB52-8581 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.8 CC1=CC(C=O)=CC(C)=N1 BB31-3576 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.8 CC1=CC(CO)=CC(C)=N1 BB31-3528 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.8 COC1=NC(C)=NC(C)=C1 BB31-2475 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.25 CC1=C(C=O)C=CC(F)=N1 BB31-6533 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.25 CC1=CC(C)=C(C=O)C=N1 BB31-0486 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.25 COC1=NC=C(C)N=C1C BB31-7460 [0,0,0,0,0,1|2,0,1]=4 34 B10R1.30 CC1=CC(C=O)=C(N)N=C1 BB31-0313 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.30 CC1=NC=C(Cl)C=C1C=O BB31-8278 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.30 CCC1=NC(C)=CN=C1C BB31-5133 [0,0,0,0,0,1|1,0,2]=4 37 B7R1.1 ClCC1=CN=CS1 BB31-9749 [2,0,0,0,0,0|1,0,1]=4 38 B7R1.1 O=CC1=CN=CO1 BB31-8199 [2,0,0,0,0,0|1,1,0]=4 39 B7R1.2 CC1=CSC(Br)=C1 BB32-2597 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.2 CC1=CSC(Br)=N1 BB52-6860 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.2 CC1=CSC(Cl)=N1 BB52-6861 [2,0,0,0,0,0|1,0,0]=3 42 B7R1.2 CC1=NC(Br)=CN1 BB52-6869 [2,0,0,0,0,0|2,0,0]=4 43 B7R1.2 CC1=NC=C(N)S1 BB31-6356 [2,0,0,0,0,0|1,0,0]=3 44 B7R1.2 CC1=NN=C(Br)S1 BB52-8730 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.2 CC1=NSC(Br)=N1 BB31-5052 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.2 ClC1=NC=C(Br)S1 BB31-4590 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.2 NC1=NC(Cl)=CS1 BB31-5922 [2,0,0,0,0,0|2,0,0]=4 48 B7R1.4 CC1=C(C)OC=N1 BB31-4084 [2,0,0,0,0,0|0,1,1]=4 49 B7R1.4 CC1=C(N)SC=N1 BB32-3887 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.21 COC1=NC=C(CCl)S1 BB57-1493 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.21 COC1=NC=C(CN)S1 BB55-8400 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.35 CC(=O)C1=CN=C(C)S1 BB32-2648 [1,1,0,0,0,0|0,0,1]=3 53 B9R1.35 CC1=NC=C(C(=O)O)O1 BB31-2190 [1,1,0,0,0,0|1,1,0]=4 54 B9R1.33 CC1=C(CCBr)SC=N1 BB32-3763 [1,1,0,0,0,0|0,0,2]=4 55 B9R1.41 CC1=C(C(=O)O)SN=N1 BB52-0951 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 BB52-1580 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.277 CC1=NC(C)=C(C)N=C1C=O BB32-0504 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.279 COC1=NC(C)=C(C=O)C=C1 BB31-2972 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.279 CSC1=NC(C)=C(C=O)C=N1 BB31-6662 [0,1,0,0,0,1|2,0,0]=4 60 B11R1.50 CNC1=NC(C)=C(C(=O)O)S1 BB52-1884 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 BB52-3925 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 BB52-8234 [0,2,0,0,0,0|0,0,1]=3 63 B9R1.69 CC1=NC(C)=C(Br)C=N1 BB31-7353 [0,0,1,1,0,0|2,0,0]=4 64 B9R1.69 CC1=NC(C)=C(O)C=N1 BB32-1572 [0,0,1,1,0,0|2,0,0]=4 65 B9R1.34 CC1=CC(Cl)=NC(C)=N1 BB52-1570 [0,0,1,1,0,0|2,0,0]=4 66 B11R2.36 CC1=NC2=C(C=CN2)C=N1 BB31-8487 [0,0,0,1,0,1|2,0,0]=4 67 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 BB31-7726 [0,1,0,1,0,0|1,0,1]=4 68 B11R2.10 CC1=NC2=C(C=CN=C2)O1 BB32-3909 [0,1,0,1,0,0|0,1,1]=4 69 B11R2.10 CC1=NC2=C(CNCC2)S1 BB51-3383 [0,1,0,1,0,0|0,0,2]=4 70 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 BB31-6428 [0,1,0,1,0,0|1,0,1]=4 71 B11R2.10 NC1=NC2=C(C=CC=N2)S1 BB31-8103 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.1 C=CC1=CN=C(F)C=C1 BB31-0349 [1,0,0,0,0,1|2,0,0]=4 73 B9R1.1 C=CC1=NC=C(C)C=C1 BB32-1317 [1,0,0,0,0,1|2,0,0]=4 74 B9R1.1 CC1=NC=C(C=O)C=N1 BB52-2214 [1,0,0,0,0,1|2,0,0]=4