0 B7R1.4 CC1=C(Br)SN=C1 ACI-NI-00748 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 CC1=C([S-])SN=N1 ACI-00617 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 CC1=NSC=C1Br ACI-NI-00720 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 CC1=NSC=C1N ACI-NI-00743 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.4 CN1N=CC=C1N RH-05E-001 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 ClC1=C(Br)SC=C1 ACI-02394 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.4 NC1=NNC=C1I FD-09B-002 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 BrC1=CC=NS1 ACI-NI-00773 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 BrC1=CNN=C1 ACI-00753 [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,0,0|2,0,0]=3 11 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,0,0|1,0,0]=2 12 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,0,0|1,0,0]=2 14 B6R1.2 ClC1=CNN=C1 ACI-00754 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 NC1=CC=NO1 ACI-00943 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 O=C1C=CSN1 ACI-04102 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,0,0|2,1,0]=4 20 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.11 CC1=C(CCl)ON=C1 ACI-04860 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.11 CC1=C(CCl)SN=N1 ACI-00620 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.11 CC1=C(CN)C=CO1 JM-10L-001 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.11 CC1=C(CO)NN=C1 ACI-04855 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.11 CC1=C(CO)ON=C1 ACI-04859 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.11 CC1=C(CO)SC=N1 ACI-00573 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.11 CC1=C(CO)SN=N1 ACI-00607 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.11 CC1=NSC=C1C#N ACI-NI-00747 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.11 CN1C=NC=C1C=O ACI-00286 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.11 OCC1=C(Br)SC=C1 RH-08D-002 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.50 CC1=C(Br)C(N)=NO1 ACI-01227 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.50 CC1=C(Cl)C(N)=NO1 ACI-00541 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.50 CC1=NC=C(Br)N1C JM-08L-001 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.50 CC1=NNC(C)=C1Br ACI-01464 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.50 CC1=NNC(N)=C1Br ACI-03773 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.50 CC1=NOC(C)=C1I ACI-02249 [0,1,0,0,0,0|2,1,0]=4 42 B8R1.50 CC1=NSC(N)=C1Br ACI-NI-00728 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.50 CC1=NSC(N)=C1Cl ACI-00532 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [0,0,0,0,0,1|2,0,0]=3 47 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.5 ClC1=CC=CN=C1Cl ACI-00410 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.5 OC1=CC=CN=C1F ACI-01438 [0,0,0,0,0,1|3,0,0]=4 57 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,1,0,0,0,0|0,0,0]=2 58 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,1,0,0,0,0|2,0,0]=4 59 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [1,1,0,0,0,0|2,0,0]=4 61 B7R1.2 CC1=COC(N)=N1 ACI-00543 [1,1,0,0,0,0|1,1,0]=4 62 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [1,1,0,0,0,0|1,0,0]=3 63 B7R1.2 CC1=NSC(Br)=C1 ACI-00534 [1,1,0,0,0,0|1,0,0]=3 64 B7R1.2 CC1=NSC(I)=C1 ACI-NI-00723 [1,1,0,0,0,0|1,0,0]=3 65 B7R1.2 CC1=NSC(N)=C1 ACI-00530 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,1|2,0,0]=4 68 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,1,0,0,0,1|2,0,0]=4 69 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,1,0,0,0,1|2,0,0]=4 70 B9R1.3 CC1=CC=CC(Br)=C1S ACI-04004 [0,1,0,0,0,1|2,0,0]=4 71 B9R1.34 CC1=CC(S)=CC(Br)=C1 ACI-02421 [0,1,0,0,0,1|2,0,0]=4 72 B9R1.69 CC1=C(Cl)N=CC(N)=C1 ACI-NI-00759 [0,1,0,0,0,1|2,0,0]=4 73 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.69 CC1=CC(Br)=CN=C1N ACI-00411 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.69 CC1=CC(S)=CC=C1Br ACI-02413 [0,1,0,0,0,1|2,0,0]=4 76 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,1,0,0,0,1|2,0,0]=4 77 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [0,1,0,0,0,1|2,0,0]=4 78 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,1,0,0,0,1|2,0,0]=4 79 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,1,0,0,0,1|2,0,0]=4 80 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,1,0,0,0,1|2,0,0]=4 81 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,1,0,0,0,1|2,0,0]=4 82 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,1,0,0,0,1|2,0,0]=4 83 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,1,0,0,0,1|2,0,0]=4 84 B9R1.15 CC1=C(C#N)C=CN=C1 ACI-02495 [0,1,0,0,0,1|1,0,1]=4 85 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,1,0,0,0,1|2,0,0]=4 87 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [0,1,0,0,0,1|2,0,0]=4 88 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [0,1,0,0,0,1|2,0,0]=4 89 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [0,1,0,0,0,1|2,0,0]=4 90 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [0,1,0,0,0,1|2,0,0]=4 91 B9R1.15 ClCC1=CC=CN=C1Cl WS-02I-002 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.15 OCC1=CC=CN=C1Cl ACI-NI-00467 [0,1,0,0,0,1|2,0,0]=4 94 B9R1.14 COC1=CSC=C1C=O ACI-01992 [0,2,0,0,0,0|0,0,1]=3 95 B9R1.27 CC1=C(CO)N(C)N=C1 ACI-04857 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.27 CC1=NSC(N)=C1C#N ACI-00528 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.33 CNCC1=CN=CN1C FD-11A-003 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [0,2,0,0,0,0|1,0,1]=4 99 B9R1.41 CC1=NSC=C1[N+](=O)[O-] ACI-00525 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.132 CC1=NSC(C#N)=C1N ACI-NI-00757 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.132 CC1=NSC(C=O)=C1Br ACI-NI-00749 [0,2,0,0,0,0|2,0,0]=4 102 B9R2.3 C1=C2CNCC2=NN1 ACI-02624 [0,1,0,1,0,0|2,0,0]=4