0 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#CC1=CC=CN=N1 37154 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [0,1,0,0,0,0|1,0,1]=3 7 B10R1.13 CN(C)C1=CN=C(Cl)C=N1 78767 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [0,1,0,0,0,0|1,0,1]=3 9 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [0,1,0,0,0,0|1,0,1]=3 10 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 82853 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.61 O=C(O)C1=C(F)C=NC=N1 P13931 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl N13177 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,1,0,0,0,0|0,0,0]=1 24 B10R1.113 CN(C)C1=CC(Br)=NC=N1 D80235 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.113 NC1=CC(C(F)F)=NC=C1 C90223 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.113 NC1=CC=CC(C(F)F)=N1 C72274 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [0,1,0,0,0,0|2,0,0]=3 33 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,0,0,0,1,0|2,0,1]=4 35 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,0,0,0,1,0|2,0,1]=4 36 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [0,0,0,0,1,0|2,0,1]=4 38 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [0,0,0,0,0,1|1,0,0]=2 40 B10R1.18 CC(C)NC1=CC=CN=N1 79167 [0,0,0,0,0,1|2,0,1]=4 41 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,0,0,0,0,1|2,0,0]=3 42 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.1 O=CC1=NC=C(F)C=N1 38374 [1,1,0,0,0,0|1,0,0]=3 45 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|0,0,2]=4 49 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [1,1,0,0,0,0|0,0,0]=2 51 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|0,0,2]=4 52 B9R1.8 CCNC1=CC=CN=N1 79166 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,1,0,0,0,0|0,0,1]=3 54 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,1,0,0,0,0|0,0,2]=4 55 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.15 NC1=CN=CN=C1C=O P14889 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,1,0,0,1,0|2,0,0]=4 58 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [0,1,0,0,1,0|1,0,1]=4 60 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,1,0,0,1,0|2,0,0]=4 61 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [0,1,0,0,1,0|1,0,0]=3 62 B9R1.41 CC1=CON=C1C(=O)O C74055 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.86 NC1=CC=CN=C1CC(=O)O D96389 [0,1,0,0,0,1|1,0,0]=3 65 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 AT11209 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 F18201 [0,1,0,0,0,1|1,0,0]=3 67 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 55104 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 P19476 [0,2,0,0,0,0|1,0,1]=4 72 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 79499 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.21 CC1=C(Br)C=NC([N+](=O)[O-])=C1 D84499 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 W19243 [0,2,0,0,0,0|1,0,0]=3 75 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 D74727 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 O11445 [0,2,0,0,0,0|1,0,1]=4 77 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 O11326 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 C72382 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl D79869 [0,2,0,0,0,0|0,0,0]=2 81 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=N1 BL010218 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.166 NC1=CC(F)=CN=C1C(=O)O P17500 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 C73755 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.87 CC(C)(C)C1=NC=CC=C1N W16124 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.155 CC(C)(O)C1=CC=CC(Cl)=N1 C75048 [0,2,0,0,0,0|0,0,2]=4 88 B11R1.155 CS(=O)(=O)C1=NC=CC(Br)=C1 D70863 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=N1 D96548 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.167 CC(=O)C1=CC(F)=CN=C1F AT10058 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.167 CC1=C(C(=O)O)N=C(Cl)N=C1 P18151 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 D77186 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.74 O=C([O-])C1=CC(F)=CC(F)=N1 P17809 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 79414 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.266 COC1=CC(C(=O)O)=NN=C1 F30535 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y12185 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 79647 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [0,2,0,0,0,0|1,0,0]=3 102 B11R2.10 BrC1=CC2=C(C=CC=N2)S1 73440 [0,0,0,1,0,1|1,1,0]=4 103 B11R2.10 CC1=CC2=CN=CN=C2N1 38251 [0,0,0,1,0,1|2,0,0]=4 104 B11R2.10 CC1=CC2=NC=CN=C2N1 P19354 [0,0,0,1,0,1|2,0,0]=4 105 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,0,0,1,0,1|1,0,1]=4 106 B11R2.10 O=C1CC2=C(N=CN=C2)N1 38039 [0,0,0,1,0,1|1,0,0]=3 107 B11R2.1 ClC1=NNC2=CC=CN=C21 24272 [0,1,0,1,0,0|2,0,0]=4 108 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [0,0,0,0,0,2|2,0,0]=4