0 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 ClC1=CC=CN=N1 ACI-04746 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.3 NC1=CC=NC=N1 ACI-03852 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.3 OC1=CC=CN=N1 ACI-04745 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 N#CC1=NC=C(Cl)C=N1 ACI-02635 [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|2,0,0]=3 12 B9R1.1 NCC1=NC=C(Cl)C=N1 ACI-02636 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 NNC1=CC=C(I)C=C1 ACI-00329 [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|2,0,0]=3 15 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.2 CNC1=NC(Cl)=CN=C1 ACI-02178 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.2 COC1C=CC=C(Br)N1 ACI-06424 [0,1,0,0,0,0|0,0,2]=3 20 B9R1.2 N#CC1=CC=CC(=O)N1 ACI-06426 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.2 N#CC1=CC=NC(Cl)=N1 ACI-01101 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 N#CC1=NC=CC(Br)=C1 ACI-03815 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.2 N#CC1=NC=CC(Cl)=C1 ACI-00996 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.2 OC1=NC=NC(CCl)=C1 SB-11A-001 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06376 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.15 COC1=C(Br)C=NC=C1 ACI-06377 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.15 ClCC1=CC=CC=C1Br ACI-03860 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 COC1=CCCN1 JM-08J-001 [0,0,0,0,1,0|0,0,3]=4 38 B7R1.1 NCC1=CSC=C1 ACI-00305 [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 ClC1=NN=C(I)C=C1 ACI-00522 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.3 NC1=NC=C(I)C=C1 ACI-00985 [1,1,0,0,0,0|1,0,0]=3 43 B8R1.4 BrC1=CC=CC(Br)=N1 ACI-00415 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [1,1,0,0,0,0|1,0,0]=3 45 B8R1.4 CC1=CC(O)=NC=N1 ACI-01031 [1,1,0,0,0,0|1,0,0]=3 46 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [1,1,0,0,0,0|0,0,0]=2 47 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [1,1,0,0,0,0|1,0,0]=3 49 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.4 CC1=NC=NC(N)=C1 ACI-03854 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.4 ClC1=CC(Cl)=NC=N1 ACI-01349 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [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|1,0,0]=3 56 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [1,1,0,0,0,0|1,0,0]=3 57 B8R1.5 OC1=CC=CN=C1F ACI-01438 [1,1,0,0,0,0|1,0,0]=3 58 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.3 N#CC1=CC=C(CBr)N=C1 ACI-00463 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.3 N#CC1=NC=C(CBr)C=C1 SB-02B-001 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.25 CC1=CN=C(C#N)C(N)=C1 ACI-00449 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.25 COC1=C(N)C=C(Cl)N=N1 RH-15J-001 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.25 COC1=CC=C(Br)N=C1Br ACI-03880 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.25 COC1=CC=C(N)N=C1Br ACI-01397 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.25 COC1=NN=C(N)C=C1Cl JM-12G-001 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=N1 ACI-04829 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.25 ClCC1=NC=C(Cl)C=C1Cl JL-12E-002 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.25 FC1=CC(F)=C(CCl)N=C1 ACI-04826 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.25 NNC1=NC=C(F)C=C1F ACI-05349 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.2 CNC1=C(Br)C(C)=NC=N1 ACI-06421 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.2 COC1=CC=CC(N)=C1N WS-05L-004 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.8 CSC1=NC(Cl)=CC(Cl)=N1 ACI-00245 [0,2,0,0,0,0|1,1,0]=4 84 B10R1.8 CSC1=NC(O)=CC(O)=N1 RJC-03E-002 [0,2,0,0,0,0|1,1,0]=4 85 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.30 COC1=CC(N)=CC=C1F ACI-05283 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,2,0,0,0,0|1,0,0]=3 91 B10R1.113 CC1=CC(C(=N)N)=NC=C1 ACI-02502 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.113 CC1=NC(C(=N)N)=CC=C1 ACI-00468 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.172 C=CC1=NC=CC(OC)=C1 ACI-05094 [0,2,0,0,0,0|1,0,1]=4 98 B10R1.172 COC1=CC=NC(C#N)=C1 ACI-00467 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.172 COC1C=CC=C(C#N)N1 ACI-06425 [0,2,0,0,0,0|0,0,2]=4 100 B10R1.172 N#CC1=CC(NN)=NC=C1 ACI-05090 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.172 N#CC1=CC=CC(C=O)=N1 ACI-04983 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.172 N#CC1=CC=CC(CO)=N1 ACI-04984 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.15 N\C(=N/O)C1=CC=CC=N1 ACI-NI-00264 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.61 CC1=CC=CN=C1C(=N)N ACI-02503 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,2,0,0,0,0|1,1,0]=4 109 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,2,0,0,0,0|1,1,0]=4 119 B10R1.20 C=CC1=NC=CC=C1C=O ACI-01425 [0,2,0,0,0,0|1,0,1]=4 120 B6R1.2 BrC1=NNC=C1 ACI-01841 [1,0,0,0,1,0|2,0,0]=4 121 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [1,0,0,0,1,0|2,0,0]=4 122 B6R1.2 CC1=CSN=C1 ACI-NI-00745 [1,0,0,0,1,0|2,0,0]=4 123 B6R1.2 CC1=CSN=N1 ACI-05802 [1,0,0,0,1,0|2,0,0]=4 124 B6R1.2 CC1=NSC=C1 ACI-00539 [1,0,0,0,1,0|1,0,0]=3 125 B6R1.2 NC1=NC=CO1 ACI-00944 [1,0,0,0,1,0|2,0,0]=4 126 B6R1.2 NC1=NNC=C1 ACI-03851 [1,0,0,0,1,0|2,0,0]=4 127 B6R1.2 OC1=CC=NN1 ACI-00667 [1,0,0,0,1,0|1,0,1]=4 128 B6R1.2 OC1=NOC=C1 ACI-04840 [1,0,0,0,1,0|1,0,0]=3 129 B6R1.2 OC1=NSC=C1 ACI-04841 [1,0,0,0,1,0|1,0,0]=3