0 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 CCNC1=CC=CN=N1 79166 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.222 COC(=O)C1=C(C)C=NN=C1 38774 [0,1,0,0,0,0|1,0,0]=2 8 B11R2.1 NC1=CNC2=C1C=NC=C2 AC3430 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,1,0,0|1,0,0]=2 10 B11R2.1 O=C1NCC2=C1C=NC=N2 F52634 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [0,0,0,0,0,1|1,0,0]=2 12 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [1,1,0,0,0,0|1,0,0]=3 13 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [1,1,0,0,0,0|1,0,1]=4 14 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [1,1,0,0,0,0|1,0,1]=4 15 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [1,1,0,0,0,0|1,0,1]=4 16 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [1,1,0,0,0,0|1,0,1]=4 17 B10R1.13 NC(=O)C1=CN=C(Cl)N=C1 D72721 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.61 CC1=C(C(=O)O)C=NN=C1 37530 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,1,0,0,1,0|1,0,0]=3 29 B10R1.14 COC(=O)C1=NC=C(N)S1 P13279 [0,1,0,0,1,0|1,0,0]=3 30 B10R1.14 COC(=O)C1=NNC(I)=C1 P14584 [0,1,0,0,1,0|1,0,0]=3 31 B10R1.149 COC(=O)C1=NNC=C1F P16729 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.32 CCOC(=O)CC1=NN=CC=C1 P11834 [0,1,0,0,0,1|1,0,0]=3 33 B12R1.32 CCOC(=O)NC1=NC=CC=C1 D96330 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.49 COC(=O)CC1=CN=C(Br)C=N1 P17446 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.49 COC(=O)CC1=CN=C(Cl)N=C1 P19981 [0,1,0,0,0,1|1,0,0]=3 36 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 C75626 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=N1 W11515 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 O11922 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.367 COC(=O)C1=CC=C(N)C(I)=N1 52591 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.367 COC(=O)C1=CN=C(C)C(Cl)=N1 W15307 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=N1 BL010140 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 79101 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.1703 COC(=O)C1=CN=C(F)C=C1N D96958 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl C76776 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.24 CCC(=O)C1=CC=CC(F)=C1I 79283 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.24 COC(=O)C1=C(Cl)C(N)=CC=N1 77093 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.24 COC(=O)C1=C(N)C(Br)=NC=C1 F30315 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 O11870 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.24 COC(=O)C1=CC=CC(I)=C1O AT10729 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.354 COC(=O)C1=C(F)C=NC(N)=C1 90088 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 N13245 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C13965 [0,2,0,0,0,0|0,0,0]=2 60 B12R1.77 CCC1=C(C(=O)OC)C=CC=N1 D83965 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.77 COC(=O)C1=C(CBr)C=NC=C1 90032 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.77 COC(=O)C1=NC=CC=C1C=O CS1479 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.77 COC(=O)C1=NC=CC=C1CN P19801 [0,2,0,0,0,0|2,0,0]=4 64 B10R2.32 O=C1CCN2C=NC=C12 65837 [0,0,0,1,1,0|2,0,0]=4 65 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,0,0,1,1,0|2,0,0]=4 66 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,1,0,1|1,0,0]=3 67 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,1,0,1|1,0,0]=3 68 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [0,1,0,1,0,0|1,0,0]=3 69 B12R2.1081 O=C1CCOC2=C1C=NC=C2 F53452 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,1,0,1,0,0|0,0,0]=2 71 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [0,1,0,1,0,0|1,0,0]=3 73 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,1,0,1,0,0|1,0,0]=3 76 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W16979 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.196 O=C1CCC2=C(Br)C=NC=C12 84234 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 COCC1=NNC=C1 AC8210 [1,0,0,0,1,0|1,0,1]=4 80 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,0,0,0,0,2|2,0,0]=4