0 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,0,0,0,0|1,0,3]=4 1 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,1,0,0,0,0|1,0,2]=4 2 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,1,0,0,0,0|1,0,2]=4 3 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,1,0,0,0,0|2,0,1]=4 4 B12R2.24 OC1=CN=C2C=CC=CC2=N1 ACI-01320 [0,1,0,0,0,0|1,0,0]=2 5 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 ACI-06636 [0,1,0,0,0,0|1,0,0]=2 6 B12R2.1081 O=C1NC=CC2=CN=CC=C12 ACI-02497 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 ACI-06635 [0,1,0,0,0,0|1,0,0]=2 8 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [0,0,1,0,0,0|1,0,1]=3 10 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.20 C=CC1=NC=CC=C1C=O ACI-01425 [0,0,1,0,0,0|1,0,0]=2 12 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [0,0,1,0,0,0|3,0,0]=4 13 B10R2.7 C1=CC2=NN=CN2C=C1 ACI-04750 [0,0,0,0,1,0|2,0,0]=3 14 B10R2.7 C1=CC2=NN=CN2N=C1 ACI-04748 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,1,0,0,0|1,0,1]=4 16 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [1,0,1,0,0,0|2,0,0]=4 17 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [1,0,1,0,0,0|2,0,0]=4 18 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,1,1,0,0,0|1,0,1]=4 19 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,1,1,0,0,0|1,0,1]=4 20 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,1,1,0,0,0|1,0,1]=4 21 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [0,1,1,0,0,0|1,0,1]=4 22 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [0,1,1,0,0,0|1,0,1]=4 23 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [0,1,1,0,0,0|1,0,1]=4 24 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [0,1,1,0,0,0|1,0,1]=4 25 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [0,1,1,0,0,0|1,0,1]=4 26 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [0,1,1,0,0,0|1,0,1]=4 27 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,1,1,0,0,0|1,0,1]=4 28 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,1,1,0,0,0|1,0,1]=4 29 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [0,1,1,0,0,0|2,0,0]=4 30 B11R2.1 BrC1=C2C=CC=CN2N=C1 ACI-04684 [0,1,0,0,1,0|1,0,0]=3 31 B11R2.1 BrC1=C2C=NC=CN2N=C1 ACI-04687 [0,1,0,0,1,0|2,0,0]=4 32 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,1,0,0,1,0|1,0,0]=3 33 B11R2.1 BrC1=NN=C2C=CC=CN12 ACI-04751 [0,1,0,0,1,0|2,0,0]=4 34 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,1,0,0,1,0|1,0,0]=3 35 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,1,0,0,1,0|1,0,0]=3 36 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,1,0,0,1,0|1,0,1]=4 37 B11R2.1 NC1=NNC2=NC=CC=C12 ACI-04391 [0,1,0,0,1,0|2,0,0]=4 38 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,1,0,0,1,0|2,0,0]=4 39 B11R2.1 SC1=NN=C2C=CC=CN12 WS-05A-005 [0,1,0,0,1,0|2,0,0]=4 40 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [0,1,0,0,1,0|1,0,0]=3 41 B11R2.10 NC1=NC2=CC=CN=C2N1 ACI-04394 [0,1,0,0,1,0|2,0,0]=4 42 B11R2.10 OC1=NC2=NC=CC=C2O1 SB-05C-023 [0,1,0,0,1,0|2,0,0]=4 43 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,1,0,0,1,0|0,0,2]=4 44 B11R2.10 SC1=NC2=C(C=CC=C2)S1 ACI-01509 [0,1,0,0,1,0|1,0,0]=3 45 B11R2.36 BrC1=CC2=NSN=C2C=C1 WS-04F-004 [0,1,0,0,1,0|2,0,0]=4 46 B11R2.36 FC1=CN2C=CN=C2C=C1 ACI-04229 [0,1,0,0,1,0|1,0,0]=3 47 B11R2.36 NC1=CC2=C(C=C1)NN=N2 RJC-03E-005 [0,1,0,0,1,0|2,0,0]=4 48 B11R2.36 NC1=CC2=C(C=C1)OC=C2 ACI-05788 [0,1,0,0,1,0|1,0,0]=3 49 B11R2.36 NC1=CC2=C(C=C1)SC=N2 ACI-00493 [0,1,0,0,1,0|1,0,0]=3 50 B11R2.36 OC1=CC2=C(C=C1)OC=C2 ACI-05787 [0,1,0,0,1,0|1,0,0]=3 51 B11R2.106 BrC1=C2SC=CC2=CC=C1 WS-05J-007 [0,1,0,0,1,0|1,0,0]=3 52 B11R2.106 BrC1=CC=CC2=C1N=CN2 ACI-01524 [0,1,0,0,1,0|1,0,0]=3 53 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [0,1,0,0,1,0|1,0,0]=3 54 B11R2.106 CC1=CC=CC2=NON=C12 SB-10G-004 [0,1,0,0,1,0|2,0,0]=4 55 B11R2.106 CC1=CC=CC2=NSN=C12 ACI-02687 [0,1,0,0,1,0|2,0,0]=4 56 B11R2.106 ClC1=C2C=CNC2=NC=C1 JM-05F-099 [0,1,0,0,1,0|1,0,0]=3 57 B11R2.106 ClC1=C2SN=NC2=CC=C1 RH-05K-005 [0,1,0,0,1,0|2,0,0]=4 58 B11R2.106 NC1=CC=CC2=C1C=CO2 ACI-05785 [0,1,0,0,1,0|1,0,0]=3 59 B11R2.106 NC1=CC=CC2=C1N=CS2 ACI-00632 [0,1,0,0,1,0|1,0,0]=3 60 B11R2.106 NC1=CC=CC2=C1SC=N2 FD-09B-001 [0,1,0,0,1,0|1,0,0]=3 61 B11R2.106 NC1=CC=CC2=NSN=C12 ACI-02688 [0,1,0,0,1,0|2,0,0]=4 62 B11R2.106 OC1=CC=CC2=C1C=CO2 ACI-05784 [0,1,0,0,1,0|1,0,0]=3 63 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 ACI-03793 [0,2,0,0,0,0|0,0,0]=2 64 B13R2.57 N#CC1=CC2=CC=CC=C2OC1 ACI-01777 [0,2,0,0,0,0|1,0,1]=4 65 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 ACI-05181 [0,2,0,0,0,0|0,0,0]=2 66 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 ACI-05343 [0,2,0,0,0,0|0,0,0]=2 67 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 SB-05K-001 [0,2,0,0,0,0|1,0,0]=3 68 B13R2.57 OCC1=CC2=CC=CC=C2OC1 ACI-01778 [0,2,0,0,0,0|1,0,1]=4 69 B13R2.57 OCC1=CC2=CC=CN=C2C=C1 ACI-05342 [0,2,0,0,0,0|0,0,0]=2 70 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 FD-11C-001 [0,2,0,0,0,0|0,0,1]=3 71 B13R2.155 NC1=NC=C2C=CC(Br)=CC2=N1 ACI-05242 [0,2,0,0,0,0|1,0,0]=3 72 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=N1 ACI-05241 [0,2,0,0,0,0|1,0,0]=3 73 B13R2.155 NC1=NC=C2C=CC(F)=CC2=N1 ACI-05240 [0,2,0,0,0,0|1,0,0]=3 74 B13R2.162 FC1=NC=C2N=CN=C(Cl)C2=C1 JL-12B-003 [0,2,0,0,0,0|2,0,0]=4 75 B13R2.162 NC1=NC=C2C=CC=C(F)C2=N1 ACI-05243 [0,2,0,0,0,0|1,0,0]=3 76 B13R2.328 CC1=CC(Cl)=C2C=CC=CC2=N1 ACI-01333 [0,2,0,0,0,0|0,0,0]=2 77 B13R2.328 ClC1=CC(Cl)=C2C=CC=CC2=N1 ACI-00807 [0,2,0,0,0,0|0,0,0]=2 78 B13R2.369 CC1=C(Br)C=C2N=CC=NC2=C1 ACI-15474 [0,2,0,0,0,0|1,0,0]=3 79 B13R2.369 CC1=C(Cl)N=C2C=CC=CC2=N1 ACI-01109 [0,2,0,0,0,0|1,0,0]=3 80 B13R2.369 ClC1=C(Cl)N=C2C=CC=CC2=N1 ACI-01331 [0,2,0,0,0,0|1,0,0]=3 81 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 ACI-01325 [0,2,0,0,0,0|1,0,0]=3 82 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 ACI-06631 [0,2,0,0,0,0|0,0,0]=2 83 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 ACI-06630 [0,2,0,0,0,0|0,0,0]=2 84 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=N1 ACI-05238 [0,2,0,0,0,0|1,0,0]=3 85 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=N1 ACI-05234 [0,2,0,0,0,0|1,0,0]=3 86 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 ACI-05236 [0,2,0,0,0,0|1,0,0]=3 87 B13R2.1613 BrCC1=CC=CC2=CC=CN=C21 ACI-00649 [0,2,0,0,0,0|0,0,0]=2 88 B13R2.1613 NCC1=CC=CC2=CC=CN=C21 ACI-00650 [0,2,0,0,0,0|0,0,0]=2 89 B13R2.1613 NNC1=C2C=CC=NC2=CC=C1 FD-10E-002 [0,2,0,0,0,0|0,0,0]=2 90 B13R2.1613 NNC1=CC=CC2=C1N=CC=C2 ACI-00638 [0,2,0,0,0,0|0,0,0]=2