0 B9R1.3 CC1=C(Br)C=CC=C1S ACI-02417 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 CC1=C(N)C(Cl)=NC=C1 ACI-00862 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.3 CC1=NC=NC(Cl)=C1Br ACI-06420 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.3 CC1=NC=NC(O)=C1Br ACI-06419 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 FC1=C(Br)C=CC=C1S ACI-02552 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.3 FC1=CC=CC(Br)=C1S ACI-02556 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.3 FC1=CC=CC(S)=C1Br ACI-02562 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.3 NC1=C(Cl)C=NC=C1Cl ACI-00378 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.3 OC1=C(Br)C=NC=C1Br ACI-01235 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.2 CC1=C(F)C=CC=C1NN ACI-04206 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.2 CNC1=C(Br)C(C)=NC=N1 ACI-06421 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.2 FC1=C(I)C=CC=C1CBr ACI-05616 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.2 FC1=CC=CC(CBr)=C1Cl ACI-04692 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.2 N#CC1=CC=CC(I)=C1F ACI-06372 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.2 NNC1=C(F)C(F)=CC=C1 ACI-04091 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.22 CC1=CC(O)=CC(C)=C1I JM-03B-001 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.22 CC1=NC(O)=NC(C)=C1Cl ACI-01020 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.22 NC1=C(F)C=C(Br)C=C1O ACI-05591 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.22 NC1=CC(Cl)=CC(Cl)=C1O ACI-00885 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.119 CC1=C(F)C(N)=C(F)C=C1 ACI-02223 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.245 CC1=C(C#N)C(Cl)=NC=C1 ACI-01637 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.245 CC1=C(C#N)C(O)=NC=C1 ACI-01407 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.245 CC1=CC=CC(Cl)=C1NN ACI-04089 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.50 CC1=NNC(C)=C1Br ACI-01464 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.50 CC1=NOC(C)=C1I ACI-02249 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.3 OC1=CC=CN=N1 ACI-04745 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.34 CC1=CC(S)=CC(Br)=C1 ACI-02421 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.34 FC1=CC(Br)=CC(S)=C1 ACI-02565 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.34 FC1=CC(Cl)=CC(S)=C1 ACI-04611 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.34 SC1=CC(Br)=CC(Cl)=C1 ACI-02425 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.34 SC1=CC(S)=CC(S)=C1 JM-11J-004 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.69 CC1=C(Br)C=C(S)C=C1 ACI-02349 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.69 FC1=CC(Br)=CC=C1S ACI-02559 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.69 FC1=CC(S)=CC=C1Br ACI-02581 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.69 FC1=CC=C(Br)C(S)=C1 ACI-02557 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.69 FC1=CC=C(Br)C=C1S ACI-02554 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.69 FC1=CC=C(S)C(Br)=C1 ACI-02564 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 FC1=CC=C(S)C=C1Br ACI-02567 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.69 NC1=C(Cl)C=C(F)C=C1 ACI-04608 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.69 NC1=CC=C(Br)C=C1N ACI-01651 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.69 NC1=CC=C(Br)C=C1S ACI-04794 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.69 NC1=CC=C(Cl)C=C1S ACI-04793 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.69 NC1=CC=C(I)C=C1N ACI-01596 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [1,1,0,0,0,0|0,0,0]=2 84 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [1,1,0,0,0,0|0,0,0]=2 90 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.27 CC1=C(CO)N(C)N=C1 ACI-04857 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.8 CNC1=CC(Br)=CC(F)=C1N JL-15J-002 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.8 ClC1=CC(CBr)=C(Cl)C(Cl)=C1 ACI-03741 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.8 O=CC1=C(O)C(F)=CC(Br)=C1 ACI-02722 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.8 OCC1=C(Cl)C(Cl)=CC(Cl)=C1 ACI-03751 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.265 COC1=C(NN)C=CC=C1F FD-10E-003 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.265 FC1=C(CBr)C(CBr)=CC=C1 JL-10C-004 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.278 CC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05529 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.14 N#CC1=CC(Br)=C(O)C(Br)=C1 ACI-00238 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 WS-04F-001 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 ACI-00846 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.156 CC1=C(C(=O)O)C(O)=NC=C1 ACI-01234 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.156 CC1=NC=NC(C)=C1C(=O)O ACI-01347 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.605 O\N=C\C1=C(Cl)C=CC=C1Cl ACI-01673 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.605 O\N=C\C1=C(F)C=CC=C1Cl ACI-01996 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,0,1,1,0,0|2,0,0]=4 107 B11R2.106 BrC1=C2OCCC2=CC=C1 ACI-NI-00707 [0,1,0,1,0,0|1,0,0]=3 108 B11R2.106 BrC1=CC=CC2=C1OC=C2 ACI-02292 [0,1,0,1,0,0|1,0,1]=4 109 B11R2.106 CC1=CC=CC2=NON=C12 SB-10G-004 [0,1,0,1,0,0|1,0,0]=3 110 B11R2.106 CC1=CC=CC2=NSN=C12 ACI-02687 [0,1,0,1,0,0|1,1,0]=4 111 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [1,0,0,0,1,0|2,0,0]=4