0 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.3 NC1=CC=NC=N1 ACI-03852 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.3 OC1=CC=CN=N1 ACI-04745 [1,0,0,0,0,0|2,1,0]=4 5 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 N#CC1=CC=C(Cl)N=C1 ACI-NI-00401 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 N#CC1=NC=C(F)C=C1 ACI-00992 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 NNC1=CC=C(F)N=C1 ACI-04198 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,0|1,1,0]=3 19 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.2 N#CC1=NC=CC(Br)=C1 ACI-03815 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.2 N#CC1=NC=CC(Cl)=C1 ACI-00996 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [0,1,0,0,0,0|1,1,0]=3 30 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 NCC1=CSC=C1 ACI-00305 [0,0,0,0,1,0|3,0,0]=4 35 B7R1.1 O=CC1=CC=NO1 ACI-04961 [0,0,0,0,1,0|3,0,0]=4 36 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [0,0,0,0,1,0|3,0,0]=4 37 B7R1.1 OCC1=CN=CN1 ACI-01502 [0,0,0,0,1,0|2,0,1]=4 38 B7R1.1 OCC1=CN=CS1 ACI-00689 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [1,1,0,0,0,0|1,0,0]=3 40 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [1,1,0,0,0,0|1,0,0]=3 41 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.4 SC1=NC(S)=NN=C1 ACI-01792 [1,1,0,0,0,0|1,0,0]=3 55 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,1,0,0,0,0|1,1,0]=4 58 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.8 CCSC1=CN=NS1 ACI-00621 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,2,0,0,0,0|1,1,0]=4 63 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,2,0,0,0,0|1,1,0]=4 64 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 ACI-00245 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.8 CSC1=NC(O)=CC(O)=N1 RJC-03E-002 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.15 N=C(NN)C1=NC=CN=C1 ACI-02721 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,2,0,0,0,0|1,1,0]=4 76 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,2,0,0,0,0|1,1,0]=4 77 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,2,0,0,0,0|2,0,0]=4 79 B6R1.2 BrC1=CC=NS1 ACI-NI-00773 [1,0,0,0,1,0|2,0,0]=4 80 B6R1.2 BrC1=CNN=C1 ACI-00753 [1,0,0,0,1,0|2,0,0]=4 81 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,1,0|2,0,0]=4 82 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,1,0|1,0,0]=3 83 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,1,0|1,0,0]=3 84 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,1,0|2,0,0]=4 85 B6R1.2 CC1=NN=NN1 ACI-01300 [1,0,0,0,1,0|2,0,0]=4 86 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,1,0|1,0,0]=3 87 B6R1.2 ClC1=CNN=C1 ACI-00754 [1,0,0,0,1,0|2,0,0]=4 88 B6R1.2 NC1=CC=NO1 ACI-00943 [1,0,0,0,1,0|2,0,0]=4 89 B6R1.2 NC1=NC=CO1 ACI-00944 [1,0,0,0,1,0|2,0,0]=4 90 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,1,0|2,0,0]=4 91 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,1,0|1,1,0]=4 92 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,1,0|1,1,0]=4 93 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,1,0|1,1,0]=4