0 B9R1.11 COC(=N)C1=CC=CS1 WS-04A-006 [0,0,0,0,0,0|1,1,0]=2 1 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.11 N\C(=N/O)C1=CC=CS1 ACI-NI-00203 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.11 O=C(CBr)C1=CC=CS1 ACI-01812 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.11 O=C(CBr)C1=CSC=C1 ACI-05846 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [1,0,0,0,0,0|2,1,0]=4 7 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,0,0,0,0,0|2,1,0]=4 10 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,0,0,0,0,0|2,1,0]=4 13 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [1,0,0,0,0,0|1,2,0]=4 14 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,0,0,0,0,0|2,1,0]=4 18 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,0,0,0,0,0|1,0,0]=2 19 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.11 CCOC(=N)C1=CC=CS1 ACI-00584 [0,1,0,0,0,0|1,1,0]=3 24 B10R1.11 CCOC(=O)C1=CC=CN1 ACI-00655 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.11 CCOC(=O)C1=CC=NN1 WS-04J-001 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.11 CCOC(=O)C1=CN=CS1 ACI-00692 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.11 N#CCC(=O)C1=CC=CN1 ACI-01087 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,1,0,0,0,0|0,1,0]=2 31 B10R1.14 COC(=O)C1=CN(C)C=N1 ACI-02533 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,1,0,0,0,0|1,1,0]=3 33 B10R1.14 COC(=O)C1=CNC(Br)=C1 ACI-05836 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.14 O=C(CBr)C1=CC(Br)=NO1 ACI-06403 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.149 COC(=O)C1=C(C)N=NS1 RJC-06A-012 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.149 COC(=O)C1=C(O)C=CS1 ACI-00880 [0,1,0,0,0,0|0,1,0]=2 38 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-001 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-003 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,0,0,0,1|3,0,0]=4 46 B7R0.10 COC(=O)\C(C)=C\Br ACI-00903 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.10 COC(=O)\C(Cl)=C\[O-] JL-14F-001 [1,0,1,0,0,0|2,0,0]=4 48 B7R1.1 O=CC1=CC=NO1 ACI-04961 [2,0,0,0,0,0|1,0,0]=3 49 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [2,0,0,0,0,0|1,1,0]=4 50 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [1,1,0,0,0,0|1,1,0]=4 51 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [1,1,0,0,0,0|1,1,0]=4 54 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [1,1,0,0,0,0|1,1,0]=4 55 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [1,1,0,0,0,0|1,1,0]=4 59 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [1,1,0,0,0,0|0,0,0]=2 66 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.35 O=C(O)C1=NNC(O)=C1 SB-04E-001 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [1,1,0,0,0,0|1,1,0]=4 70 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.41 CN1C=NC=C1C(=O)O ACI-00280 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [1,1,0,0,0,0|0,1,0]=3 74 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,1|1,0,0]=3 76 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,1,0,0,0,1|1,0,0]=3 79 B11R1.23 CCC(=O)C1=NC(C)=CC=C1 ACI-05706 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.23 COC(=O)C1=CC(F)=CN=C1 RJC-04K-001 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 ACI-NI-00119 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SB-05G-001 [0,1,0,0,0,1|1,0,0]=3 85 B11R1.222 COC(=O)C1=CC=CN=C1Br ACI-01378 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.222 COC(=O)C1=CC=CN=C1Cl ACI-01376 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.15 CCOC(=O)C1=CC(C)=NN1 ACI-00406 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.15 CCOC(=O)C1=CC(C)=NO1 RH-06C-003 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.15 CCOC(=O)C1=CN=C(N)S1 ACI-00690 [0,2,0,0,0,0|1,1,0]=4 91 B11R1.15 CCOC(=O)C1=CN=C(N)S1 ACI-00691 [0,2,0,0,0,0|1,1,0]=4 92 B11R1.15 CCOC(=O)C1=CNC(C)=N1 ACI-04662 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.15 CCOC(=O)C1=CNC(S)=N1 ACI-00362 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.15 CCOC(=O)C1=COC(N)=N1 ACI-01361 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 ACI-01288 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.15 CCOC(=O)C1=CSC(C)=N1 ACI-NI-00046 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.15 CCOC(=O)C1=CSC(N)=N1 ACI-00576 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.15 CCOC(=O)C1=CSC(N)=N1 ACI-00973 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.15 CCOC(=O)C1=NC(C)=NO1 ACI-NI-00085 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.15 CCOC(=O)C1=NN=C(Br)O1 ACI-02691 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.15 CCOC(=O)C1=NN=C(C)O1 ACI-01474 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.15 CCOC(=O)C1=NN=C(N)O1 ACI-02712 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.15 CCOC(=O)C1=NNC(O)=C1 SB-04E-002 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.15 CCOC(=O)C1=NOC(C)=C1 ACI-NI-00049 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.199 CCOC(=O)C1=C(C)C=NN1 ACI-04854 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.199 CCOC(=O)C1=C(C)C=NO1 ACI-04858 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.199 CCOC(=O)C1=C(C)N=CS1 ACI-00581 [0,2,0,0,0,0|1,1,0]=4 108 B11R1.199 CCOC(=O)C1=C(C)OC=N1 ACI-00947 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.199 CCOC(=O)C1=CNC=C1C ACI-05839 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.225 COC(=O)C1=C(C)N=C(N)O1 ACI-01362 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 ACI-01051 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.865 COC(=O)C1=CN=C(S)N1C ACI-00285 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.59 COC(=O)C1=C(C#N)C=CS1 ACI-04986 [0,2,0,0,0,0|0,1,0]=3 114 B11R1.59 COC(=O)C1=C(CBr)C=CO1 ACI-02396 [0,2,0,0,0,0|0,0,0]=2 115 B11R1.59 COC(=O)C1=C(CN)C=CO1 ACI-02397 [0,2,0,0,0,0|0,0,0]=2 116 B11R1.59 COC(=O)C1=CSC=C1OC ACI-NI-00719 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [0,0,1,1,0,0|2,0,0]=4 118 B11R1.25 COC(=O)\C=C\C1=CSC=C1 ACI-04773 [0,0,0,0,0,2|2,0,0]=4