0 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.1 CC1=NC(CCl)=CS1 ACI-00968 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.1 CC1=NC(CCl)=NO1 ACI-00542 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [0,0,0,0,0,0|1,1,2]=4 8 B8R1.1 CC1=NOC(CBr)=C1 ACI-01825 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CC1=NOC(CN)=C1 JM-05I-002 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.1 CN1C=CC(CCl)=N1 ACI-01838 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 CN1C=CC(CO)=N1 RH-06L-001 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.1 NC1=NC(CCl)=CS1 ACI-00675 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 NCC1=CN=C(Br)S1 ACI-04677 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.1 O=C1OCC(CO)O1 ACI-02431 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.1 OCC1=CN=C(Br)S1 ACI-03791 [0,0,0,0,0,0|2,1,0]=3 17 B8R1.1 OCC1=NN=C(Br)S1 ACI-02719 [0,0,0,0,0,0|3,1,0]=4 18 B7R1.1 NCC1=CSC=C1 ACI-00305 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.1 OCC1=CN=CS1 ACI-00689 [1,0,0,0,0,0|1,1,0]=3 22 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 CC1=COC(N)=N1 ACI-00543 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.2 CC1=CSC(N)=N1 RJC-04J-001 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 CN1C=CC(Cl)=N1 ACI-02549 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 CN1C=CC(N)=N1 ACI-00344 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 O=C1CC(O)=CO1 JM-02K-001 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.7 COCC1=NOC(C)=N1 ACI-05013 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.22 CC1=NN(C)C(CO)=C1 ACI-00854 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.23 CCC1=NN(C)C(Cl)=C1 ACI-04721 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.23 CCC1=NN(C)C(O)=C1 ACI-04719 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.23 O=CC1=CC(Br)=C(Br)O1 ACI-04650 [0,1,0,0,0,0|1,0,2]=4 33 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,1,0,0,0,0|1,0,2]=4 36 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,1,0,0,0,0|1,0,1]=3 38 B9R1.1 CC1=CC=C(C#N)C=N1 SB-06J-002 [0,0,0,0,0,1|2,0,1]=4 39 B9R1.1 CC1=CN=C(C#N)C=C1 SB-02B-002 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.1 ClCC1=CC=C(Cl)C=N1 ACI-04823 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.1 ClCC1=CC=C(Cl)C=N1 JM-011C-001 [0,0,0,0,0,1|3,0,0]=4 42 B9R1.1 ClCC1=CN=C(Cl)C=C1 ACI-01442 [0,0,0,0,0,1|3,0,0]=4 43 B9R1.1 FC1=CC=C(CS)C=C1 ACI-01597 [0,0,0,0,0,1|2,1,0]=4 44 B9R1.1 NCC1=CC=C(Cl)N=C1 ACI-01399 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.1 OCC1=CC=C(Cl)C=N1 ACI-04824 [0,0,0,0,0,1|2,0,0]=3 46 B9R1.1 OCC1=CN=C(Cl)C=C1 ACI-00428 [0,0,0,0,0,1|2,0,0]=3 47 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [0,0,0,0,0,1|2,0,1]=4 48 B9R1.2 ClCC1=CC(Br)=CN=C1 SB-09E-005 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.2 ClCC1=CC(Cl)=NC=C1 ACI-00425 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.2 OCC1=CC(Br)=CN=C1 ACI-01412 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.2 OCC1=CC(Cl)=NC=C1 ACI-00423 [0,0,0,0,0,1|2,0,0]=3 52 B6R0.4 O=C(O)\C=C\CBr ACI-04789 [1,0,1,0,0,0|2,0,0]=4 53 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [2,0,0,0,0,0|1,1,0]=4 54 B6R1.2 CC1=NSC=C1 ACI-00539 [2,0,0,0,0,0|2,0,0]=4 55 B6R1.2 NC1=CC=NO1 ACI-00943 [2,0,0,0,0,0|2,0,0]=4 56 B6R1.2 NC1=NC=CO1 ACI-00944 [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 OC1=CC=NN1 ACI-00667 [2,0,0,0,0,0|2,0,0]=4 58 B6R1.2 OC1=NOC=C1 ACI-04840 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 OC1=NSC=C1 ACI-04841 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,1,0,0,0,0|0,0,2]=4 61 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,1,0,0,0,0|1,0,1]=4 62 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,1,0,0,0,0|1,1,0]=4 63 B8R1.11 CC1=C(CCl)ON=C1 ACI-04860 [1,1,0,0,0,0|2,0,0]=4 64 B8R1.11 CC1=C(CN)SC=C1 ACI-04730 [1,1,0,0,0,0|1,1,0]=4 65 B8R1.11 CC1=C(CO)NN=C1 ACI-04855 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.11 CC1=C(CO)OC=C1 ACI-02282 [1,1,0,0,0,0|0,0,0]=2 67 B8R1.11 CC1=C(CO)ON=C1 ACI-04859 [1,1,0,0,0,0|1,0,0]=3 68 B8R1.11 CC1=C(CO)SC=N1 ACI-00573 [1,1,0,0,0,0|1,1,0]=4 69 B8R1.11 OCC1=C(Br)SC=C1 RH-08D-002 [1,1,0,0,0,0|2,0,0]=4 70 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.18 CC1=NN(C)C(Cl)=C1 ACI-01470 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.18 CC1=NN(C)C(O)=C1 ACI-01469 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.3 C#CC1=CC=C(CO)C=C1 ACI-05708 [0,1,0,0,0,1|1,0,1]=4 74 B10R1.3 N#CC1=CC=C(CO)N=C1 ACI-04982 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.3 OCC1=CC=C(CCl)C=C1 ACI-03865 [0,1,0,0,0,1|1,0,0]=3 76 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,1,0,0,0,1|1,0,1]=4 77 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.25 OCC1=C(Cl)C=C(Cl)C=N1 ACI-04830 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.25 OCC1=C(F)C=C(F)C=N1 ACI-04827 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.176 CC1=C(I)C=C(CO)C=C1 ACI-05610 [0,1,0,0,0,1|1,0,0]=3 81 B10R1.176 CC1=CC=C(CBr)C=C1I ACI-05617 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.176 OCC1=CC(I)=C(Cl)C=C1 ACI-05611 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.2 OCC1=C(Cl)C(F)=CC=C1 ACI-04691 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.2 OCC1=C(F)C(I)=CC=C1 ACI-05609 [0,1,0,0,0,1|2,0,0]=4 85 B10R1.8 CC1=CC(O)=NC(CN)=N1 ACI-02457 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.8 OCC1=CC(Br)=CC(F)=C1 ACI-05608 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 ACI-01693 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.8 OCC1=CC(Cl)=CC(I)=C1 ACI-05607 [0,1,0,0,0,1|2,0,0]=4 89 B10R1.30 CC1=C(CO)C=C(I)C=C1 ACI-05606 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.30 OCC1=C(Cl)C=CC(I)=C1 ACI-05605 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.30 OCC1=C(F)C=CC(I)=C1 ACI-05604 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.30 OCC1=CC(Br)=CN=C1Cl ACI-00198 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.30 OCC1=CC(Cl)=CN=C1Cl ACI-00223 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,1,0,0,0,1|1,0,1]=4 95 B10R1.172 N#CC1=CC=CC(CO)=N1 ACI-04984 [0,1,0,0,0,1|1,0,1]=4 96 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 ACI-04651 [0,2,0,0,0,0|1,0,1]=4