0 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [0,0,0,0,0,0|1,1,0]=2 3 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,0,0,0,0,0|1,0,0]=2 12 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [1,0,0,0,0,0|1,1,0]=3 13 B7R1.2 CC1=COC(N)=N1 ACI-00543 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 O=C1CC(O)=CO1 JM-02K-001 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.21 N#CC1=CC=C(C=O)S1 ACI-04985 [0,1,0,0,0,0|0,1,1]=3 19 B9R1.22 CN1C=C(Cl)C(C=O)=N1 ACI-02129 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.22 NC1=NC(Cl)=C(C=O)S1 ACI-00963 [0,1,0,0,0,0|2,1,0]=4 21 B9R1.23 O=CC1=CC(Br)=C(Br)O1 ACI-04650 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ACI-00361 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 CC1=CC(C(N)=O)=NO1 ACI-02392 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 CC1=NC(C(=N)N)=CS1 ACI-00242 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.35 CC1=NC(C(N)=S)=CS1 ACI-00324 [0,1,0,0,0,0|2,1,0]=4 32 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CN1C=NC(C(N)=O)=C1 ACI-02544 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [0,1,0,0,0,0|2,1,0]=4 43 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.132 CC1=NC=C(C=O)N1C JM-08L-002 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.132 CC1=NSC(C=O)=C1Br ACI-NI-00749 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,0,0,0,0,1|2,0,1]=4 51 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.1 O=CC1=CC=C(Cl)N=N1 ACI-02604 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [0,0,0,0,0,1|2,0,1]=4 54 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [0,0,0,0,0,1|2,0,0]=3 56 B6R0.4 O=C(O)\C=C\CBr ACI-04789 [1,0,1,0,0,0|1,0,1]=4 57 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [2,0,0,0,0,0|1,1,0]=4 58 B6R1.2 CC1=NSC=C1 ACI-00539 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 NC1=CC=NO1 ACI-00943 [2,0,0,0,0,0|2,0,0]=4 60 B6R1.2 NC1=NC=CO1 ACI-00944 [2,0,0,0,0,0|2,0,0]=4 61 B6R1.2 O=C1C=CSN1 ACI-04102 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [1,1,0,0,0,0|1,1,0]=4 64 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,1,0,0,0,0|0,0,0]=2 65 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,1,0,0,0,0|1,0,0]=3 66 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,1,0,0,0,0|1,1,0]=4 67 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,1,0,0,0,0|2,0,0]=4 68 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,1,0,0,0,0|1,1,0]=4 70 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [1,1,0,0,0,0|0,2,0]=4 71 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,1,0,0,0,0|1,1,0]=4 75 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,1,0,0,0,0|1,1,0]=4 77 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [1,1,0,0,0,0|1,1,0]=4 81 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [1,1,0,0,0,0|0,0,2]=4 82 B8R1.11 CN1C=NC=C1C=O ACI-00286 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.11 CN1N=CC=C1C=O ACI-00851 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.11 O=CC1=C(Br)C=CS1 ACI-00955 [1,1,0,0,0,0|0,1,0]=3 85 B8R1.11 O=CC1=C(Br)SC=C1 ACI-01273 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [0,1,0,0,0,1|1,0,0]=3 88 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.13 CC1=CC=C(C(=N)N)C=N1 ACI-02505 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,1,0,0,0,1|1,0,0]=3 92 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 ACI-01779 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,1,0,0,0,1|2,0,0]=4 97 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,1,0,0,0,1|2,0,0]=4 106 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,1,0,0,0,1|2,0,0]=4 107 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,1,0,0,0,1|2,0,0]=4 108 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 ACI-00868 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.8 C(=O)C1=CC(Cl)=CC(Cl)=C1 ACI-01694 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 ACI-03939 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.30 O=CC1=CC(Br)=CN=C1Cl WS-02G-001 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.30 O=CC1=CC(Cl)=CN=C1Cl ACI-00225 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.113 CC1=CC(C(=N)N)=CC=N1 ACI-02507 [0,1,0,0,0,1|2,0,0]=4 119 B10R1.113 CC1=CC(C(=N)N)=NC=C1 ACI-02502 [0,1,0,0,0,1|2,0,0]=4 120 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,1,0,0,0,1|1,0,0]=3 121 B10R1.113 CC1=NC(C(=N)N)=CC=C1 ACI-00468 [0,1,0,0,0,1|2,0,0]=4 122 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [0,1,0,0,0,1|2,0,0]=4 123 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [0,1,0,0,0,1|2,0,0]=4 124 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,1,0,0,0,1|2,0,0]=4 125 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [0,1,0,0,0,1|2,0,0]=4 126 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,1,0,0,0,1|2,0,0]=4 127 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,1,0,0,0,1|2,0,0]=4 130 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.172 C=CC1=NC=CC(OC)=C1 ACI-05094 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.172 N#CC1=CC=CC(C=O)=N1 ACI-04983 [0,1,0,0,0,1|1,0,1]=4 138 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [0,1,0,0,0,1|1,0,0]=3 139 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,2,0,0,0,0|1,1,0]=4 140 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,2,0,0,0,0|1,1,0]=4 141 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.31 CCC1=CC(C(=O)O)=CS1 JL-14K-001 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.31 CCC1=NC(C(=O)O)=CN1 ACI-04660 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,2,0,0,0,0|1,1,0]=4 146 B10R1.58 CC1=CC(C(=O)Cl)=NN1C ACI-NI-00042 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.58 CC1=CC(C(=O)O)=NN1C ACI-NI-00041 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.58 CC1=CC(C(N)=O)=NN1C ACI-05351 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 ACI-04651 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.5 OC1=CC=CN=C1F ACI-01438 [0,0,1,1,0,0|2,0,0]=4