0 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 HB040-1 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 O=C(O)C1=NC(I)=CC=C1 HB069-1 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.2 COC1=CC(N)=NC=C1 HB048-1 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.2 COC1=CC=CC(N)=N1 HB083-1 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 COC1=CN=CC(Cl)=C1 HB131-1 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 COC1=CN=CC(I)=C1 HB113-1 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 COC1=CN=CC(O)=C1 HB125-1 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 COC1=NC(I)=CC=C1 HB068-1 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 COC1=NC=CC(N)=C1 HB049-1 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 O=CC1=CC(Cl)=CN=C1 HB111-1 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 O=CC1=CC(I)=CN=C1 HB110-1 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.21 O=C(O)C1=C[C@@H](O)[C@H](O)C=C1 RC520-1 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.23 COC(=O)C1=CC(I)=NC=C1 HB039-1 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.23 COC(=O)C1=NC(I)=CC=C1 HB072-1 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.23 NC[C@H](O)C1=CC(Cl)=CC=C1 RC807-1 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.23 NNC(=O)C1=NC(I)=CC=C1 HB076-1 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 HB044-1 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 RC626-1 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.167 CC(=O)C1=CC(Br)=CN=C1Cl HB508-1 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl HB476-1 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.167 CC(=O)C1=CC(F)=CN=C1Cl HB500-1 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O HB535-1 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 HB478-1 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.167 CC1=CN=C(N)C(C(=O)O)=C1 HB477-1 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 NC1=NC=C(F)C=C1C(=O)O HB293-1 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl HB333-1 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl HB369-1 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.266 COC1=CC(C(N)=O)=NC=C1 HB041-1 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.266 COC1=CC=CC(C(=O)O)=N1 HB070-1 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.266 COC1=CC=CC(C(N)=O)=N1 HB080-1 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.266 COC1=CN=CC(C(C)=O)=C1 HB135-1 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.4 OC1=CN=CC(I)=C1 HB127-1 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 HB534-1 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 HB479-1 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.30 CC1=CN=C(N)C(C=O)=C1 HB474-1 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.30 COC1=C(I)N=CC(O)=C1 HB342-1 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.30 NC1=NC=C(Br)C=C1C=O HB346-1 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.30 NC1=NC=C(F)C=C1C=O HB367-1 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.30 O=CC1=CC(Br)=CN=C1Cl HB370-1 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.30 O=CC1=CC(Cl)=CN=C1Cl HB334-1 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.30 O=CC1=CC(F)=CN=C1Cl HB368-1 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.172 COC1=CC(CO)=NC=C1 HB042-1 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.172 COC1=CC=CC(CO)=N1 HB082-1 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.172 COC1=CN=CC(C=O)=C1 HB124-1 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.127 CC(=O)NC1=CC(I)=CN=C1O HB456-1 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.127 CC(=O)OC1=CC(Br)=CN=C1I HB392-1 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.224 CC(=O)NC1=C(O)C(I)=CN=C1 HB687-1 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.224 CC(=O)NC1=C(O)C(I)=NC=C1 HB277-1 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.56 COC1=C(O)N=CC(C(=O)O)=C1 HB451-1 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.354 COC(=O)C1=CC(C)=CN=C1Cl HB492-1 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.354 COC(=O)C1=CC(F)=CN=C1Cl HB379-1 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.435 COC(=O)C1=CC(OC)=CN=C1 HB129-1 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 HB078-1 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 HB046-1 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.435 COC1=CC(C(=O)NN)=NC=C1 HB043-1 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.435 COC1=CC=CC(C(=O)NN)=N1 HB081-1 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.46 COC1=NC=C(C)C=C1C(C)=O HB488-1 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.258 CC(=O)C1=CC(B(O)O)=CN=C1 BA1512-1 [0,2,0,0,0,0|1,0,0]=3