0 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 CC1=COC(N)=N1 ACI-00543 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1=NOC(N)=N1 ACI-02451 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 CC1=NSC(Br)=C1 ACI-00534 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=NSC(I)=C1 ACI-NI-00723 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=NSC(N)=C1 ACI-00530 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CN1C=C(Cl)C=N1 ACI-01463 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CN1C=C(N)C=N1 ACI-03790 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 NC1=NN=C(Br)S1 ACI-00909 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 O=C1CC(O)=CO1 JM-02K-001 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 BrC1=CC=NS1 ACI-NI-00773 [1,0,0,0,0,0|3,0,0]=4 14 B6R1.2 BrC1=CNN=C1 ACI-00753 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 CC1=NN=NN1 ACI-01300 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 ClC1=CNN=C1 ACI-00754 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 NC1=CC=NO1 ACI-00943 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=NC=CO1 ACI-00944 [1,0,0,0,0,0|1,1,0]=3 24 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 [S-]C1=CN=NS1 ACI-01290 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.1 CC1=CC(C#N)=NO1 ACI-02390 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.1 CC1=NC(CCl)=NO1 ACI-00542 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [0,1,0,0,0,0|0,0,1]=2 38 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.1 CC1=NOC(CBr)=C1 ACI-01825 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.1 CC1=NOC(CN)=C1 JM-05I-002 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.1 CC1=NSC(C#N)=C1 ACI-00535 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.1 ClCC1=NSC(Cl)=N1 ACI-00220 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 NC1=NC(CCl)=CS1 ACI-00675 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [0,1,0,0,0,0|1,0,0]=2 51 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.1 OCC1=NN=C(Br)S1 ACI-02719 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.18 CC1=C(Cl)SC(Cl)=C1 ACI-04717 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.18 CC1=NN(C)C(Cl)=C1 ACI-01470 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.50 CC1=C(Br)C(N)=NO1 ACI-01227 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.50 CC1=C(Cl)C(N)=NO1 ACI-00541 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.50 CC1=NC=C(Br)N1C JM-08L-001 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.50 CC1=NN=C(C)N1N JM-07K-004 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.50 CC1=NNC(C)=C1Br ACI-01464 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.50 CC1=NNC(N)=C1Br ACI-03773 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.50 CC1=NOC(C)=C1I ACI-02249 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.50 CC1=NSC(N)=C1Br ACI-NI-00728 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.50 CC1=NSC(N)=C1Cl ACI-00532 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.2 CC(=O)\C=C(\C)N ACI-01061 [0,0,1,0,0,0|2,0,1]=4 68 B8R1.3 CC1=CN=C(Br)C=C1 ACI-01445 [0,0,0,0,0,1|2,0,0]=3 69 B8R1.3 CC1=CN=C(F)C=C1 ACI-00442 [0,0,0,0,0,1|2,0,0]=3 70 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [0,0,0,0,0,1|2,0,0]=3 72 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [0,0,0,0,0,1|2,0,0]=3 73 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [0,0,0,0,0,1|2,0,0]=3 75 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [0,0,0,0,0,1|2,0,0]=3 76 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [0,0,0,0,0,1|2,0,0]=3 77 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [0,0,0,0,0,1|2,0,0]=3 78 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [0,0,0,0,0,1|2,0,0]=3 79 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [0,0,0,0,0,1|2,0,0]=3 80 B8R1.4 ClC1=CC(Cl)=NC=N1 ACI-01349 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.4 NC1=CC(Br)=CN=C1 ACI-00451 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.4 SC1=NC(S)=NN=C1 ACI-01792 [0,0,0,0,0,1|3,0,0]=4 83 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,1,0,0,0,0|2,0,0]=4 84 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,1,0,0,0,0|1,0,0]=3 85 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,1,0,0,0,0|0,0,0]=2 86 B7R1.4 CC1=C(Br)SN=C1 ACI-NI-00748 [1,1,0,0,0,0|2,0,0]=4 87 B7R1.4 CC1=C([S-])SN=N1 ACI-00617 [1,1,0,0,0,0|2,0,0]=4 88 B7R1.4 CC1=NSC=C1Br ACI-NI-00720 [1,1,0,0,0,0|2,0,0]=4 89 B7R1.4 CC1=NSC=C1N ACI-NI-00743 [1,1,0,0,0,0|2,0,0]=4 90 B7R1.4 CN1N=CC=C1N RH-05E-001 [1,1,0,0,0,0|2,0,0]=4 91 B7R1.4 ClC1=C(Br)SC=C1 ACI-02394 [1,1,0,0,0,0|2,0,0]=4 92 B7R1.4 ClC1=C(Cl)S[S+]=N1 ACI-00919 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,1,0,0,0,1|1,0,1]=4 94 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,1,0,0,0,1|1,0,1]=4 95 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,1,0,0,0,1|2,0,0]=4 96 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,1,0,0,0,1|2,0,0]=4 97 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,1,0,0,0,1|2,0,0]=4 98 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.1 NCC1=NC=C(Cl)C=N1 ACI-02636 [0,1,0,0,0,1|2,0,0]=4 100 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,1,0,0,0,1|2,0,0]=4 101 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.69 CC1=CC=C(N)C(N)=N1 ACI-04395 [0,1,0,0,0,1|2,0,0]=4 103 B9R1.69 CC1=CC=C(O)C(Br)=N1 ACI-00986 [0,1,0,0,0,1|2,0,0]=4 104 B9R1.69 CC1=CC=C(O)C(I)=N1 ACI-01009 [0,1,0,0,0,1|2,0,0]=4 105 B9R1.69 CC1=CN=C(Br)C(Cl)=C1 ACI-00843 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.69 CC1=CN=C(Cl)C(Br)=C1 ACI-00863 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.69 CC1=CN=C(Cl)N=C1Cl ACI-01013 [0,1,0,0,0,1|2,0,0]=4 108 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-00837 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.69 CC1=CN=C(N)C(Br)=C1 ACI-01625 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [0,1,0,0,0,1|1,0,1]=4 111 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.2 OC1=NC=NC(CCl)=C1 SB-11A-001 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.3 CC1=C(N)C(Cl)=NC=C1 ACI-00862 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.3 CC1=NC=NC(Cl)=C1Br ACI-06420 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.3 CC1=NC=NC(O)=C1Br ACI-06419 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.34 CC1=NC(C)=NC(N)=N1 ACI-00382 [0,1,0,0,0,1|1,0,0]=3 122 B9R1.7 CCCC1=NN=C(S)S1 ACI-00926 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.7 COCC1=NOC(C)=N1 ACI-05013 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.22 CC1=NN(C)C(CCl)=C1 ACI-00853 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.22 CC1=NN(C)C(CO)=C1 ACI-00854 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.22 NC1=NC(Cl)=C(C=O)S1 ACI-00963 [0,2,0,0,0,0|1,0,1]=4 127 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [0,2,0,0,0,0|1,0,1]=4 129 B9R1.35 NC1=NN=C(C(Cl)Cl)S1 ACI-01296 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.35 O=N(=O)C1=CN=C(Br)S1 ACI-00236 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.132 CC1=NC=C(C=O)N1C JM-08L-002 [0,2,0,0,0,0|1,0,1]=4 132 B9R1.27 CC1=C(CO)N(C)N=C1 ACI-04857 [0,2,0,0,0,0|2,0,0]=4