0 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 O=C(O)C1=C(F)C=NC=N1 P13931 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl N13177 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 NC1=CN=CN=C1C=O P14889 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.156 O=C(O)C1=C(F)C=CN=C1F Y14730 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.156 O=C(O)C1=C(F)C=CN=C1O C73448 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl D79869 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.166 CC1=C(C(=O)O)C=NC(N)=N1 D79723 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.166 NC1=CC(F)=CN=C1C(=O)O P17500 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.167 CC(=O)C1=CC(F)=CN=C1F AT10058 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.167 CC1=C(C(=O)O)N=C(Cl)N=C1 P18151 [0,1,0,0,0,0|3,0,0]=4 18 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.1 O=C1NCC2=C1C=NC=N2 F52634 [0,0,0,1,0,0|3,0,0]=4 20 B11R2.55 NC1=NC=CN=C1C2CC2 60029 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,0,0,0,1,0|1,0,0]=2 22 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.41 CC1=CON=C1C(=O)O C74055 [0,0,0,0,1,0|2,0,0]=3 24 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.13 CN(C)C1=CN=C(Cl)C=N1 78767 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 82853 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.149 COC(=O)C1=NNC=C1F P16729 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O O10301 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.77 CCC1=C(C(=O)OC)C=CC=N1 D83965 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.77 COC(=O)C1=NC=CC=C1C=O CS1479 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.77 COC(=O)C1=NC=CC=C1CN P19801 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.261 O=C(O)C1=C(C(F)F)C=CC=N1 79309 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.261 O=C(O)C1=CC=CN=C1C(F)F 92834 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.283 CCSC1=C(C(=O)O)N=CC=C1 W19344 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.437 COC1=NC=CC(I)=C1C(=O)O 58423 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=N1 C74708 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.24 COC(=O)C1=C(Cl)C(N)=CC=N1 77093 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.232 CC1=NC(C)=C(C(N)=O)N=C1Cl C12654 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=N1 BL010140 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 79101 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl C76776 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.453 COC1=CC(C(=O)O)=C(C)N=C1 P19231 [0,2,0,0,0,0|2,0,0]=4 58 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,0,0,1,1,0|2,0,0]=4 59 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [0,0,0,1,0,1|2,0,0]=4 60 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [0,0,0,1,0,1|1,0,0]=3 61 B12R2.1081 O=C1CCNC2=C1C=CC=N2 W12418 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.612 CC1=NNC2=C1N=CC(Cl)=N2 D79098 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.132 CC1=CNC2=C1N=C(Br)C=N2 P13978 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.132 CC1=NNC2=C1N=C(Br)C=N2 82192 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.132 O=C1CCC2=NC=C(Br)C=C12 W18637 [0,1,0,1,0,0|1,0,0]=3 68 B12R2.132 O=C1CCC2=NC=C(F)C=C12 P19250 [0,1,0,1,0,0|1,0,0]=3 69 B12R2.132 O=C1NCC2=NC=C(Cl)C=C12 W16979 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [1,0,0,0,1,0|2,0,0]=4