0 B8R1.2 C#CC1=CC=CN=N1 37154 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 NNC1=CN=CN=C1 P12524 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 C#CC1=CN=C(N)C=N1 78951 [0,1,0,0,0,0|1,0,1]=3 3 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.2 N#CC1=CN=CC(F)=N1 AT18572 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.8 CCNC1=CC=CN=N1 79166 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 C#CC1=CN=CN1 79521 [0,0,0,0,1,0|1,0,2]=4 24 B7R1.1 ClCN1N=CC=N1 79276 [0,0,0,0,1,0|3,0,0]=4 25 B7R1.1 NCC1=CON=C1 H10991 [0,0,0,0,1,0|3,0,0]=4 26 B7R1.1 OCC1=NSC=C1 AT21123 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.5 CC1=CN=NC=C1N P18597 [1,1,0,0,0,0|2,0,0]=4 31 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,1,0,0,1,0|2,0,0]=4 32 B8R1.1 COC1=CN=C(N)S1 F14523 [0,1,0,0,1,0|1,1,0]=4 33 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,1,0,0,1,0|2,0,0]=4 34 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,1,0,0,1,0|2,0,0]=4 35 B8R1.7 C[C@H](N)C1=CNN=C1 33731 [0,1,0,0,1,0|2,0,0]=4 36 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,1,0,0,1,0|2,0,0]=4 37 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [0,1,0,0,1,0|2,0,0]=4 38 B8R1.8 CNCC1=NC=CO1 66406 [0,1,0,0,1,0|2,0,0]=4 39 B8R1.8 COCC1=NNC=C1 AC8210 [0,1,0,0,1,0|1,1,0]=4 40 B8R1.8 NCCC1=CN=CS1 S10751 [0,1,0,0,1,0|2,0,0]=4 41 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,2,0,0,0,0|2,0,0]=4 44 B10R1.13 CN(C)C1=CN=C(Cl)C=N1 78767 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [0,2,0,0,0,0|2,0,0]=4 46 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [0,2,0,0,0,0|2,0,0]=4 47 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [0,2,0,0,0,0|2,0,0]=4 50 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=N1 82853 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.25 CC1=CN=C(C#N)C(Cl)=N1 D70692 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,2,0,0,0,0|1,1,0]=4 56 B10R1.25 NCC1=NC=C(Cl)N=C1Cl D72151 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.176 COC1=CC(Br)=C(N)N=C1 P19026 [0,2,0,0,0,0|1,1,0]=4 58 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [0,2,0,0,0,0|1,1,0]=4 59 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [0,2,0,0,0,0|1,1,0]=4 60 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [0,2,0,0,0,0|1,1,0]=4 61 B10R1.176 COC1=CC=C(O)C(Br)=N1 F53711 [0,2,0,0,0,0|1,1,0]=4 62 B10R1.176 COC1=CN=C(Br)C(C)=N1 C72568 [0,2,0,0,0,0|0,1,0]=3 63 B10R1.176 CSC1=NC(O)=C(C)C=N1 AC9786 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,2,0,0,0,0|1,1,0]=4 66 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,2,0,0,0,0|1,1,0]=4 67 B10R1.2 COC1=CN=CC(Br)=C1N D84818 [0,2,0,0,0,0|1,1,0]=4 68 B10R1.10 CC#CC1=NC=CC(Br)=C1 93993 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.30 COC1=CC(F)=CN=C1Br D76819 [0,2,0,0,0,0|1,1,0]=4 72 B10R1.30 COC1=CC(F)=CN=C1Cl D76820 [0,2,0,0,0,0|1,1,0]=4 73 B10R1.30 COC1=CC(F)=CN=C1N D70750 [0,2,0,0,0,0|1,1,0]=4 74 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.30 CSC1=CC(F)=CN=C1Br D79793 [0,2,0,0,0,0|1,0,0]=3 76 B10R1.30 N#CC1=C(Cl)N=CC(Br)=N1 91415 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,2,0,0,0,0|2,0,0]=4 82 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.61 CN(C)C1=CC=CN=C1N W19197 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.61 O=[N+]([O-])C1=NC=CN=C1Cl N13177 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,2,0,0,0,0|1,1,0]=4 88 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,2,0,0,0,0|1,1,0]=4 89 B6R1.2 BrC1=CC=NO1 A51037 [1,0,0,0,1,0|2,0,0]=4 90 B6R1.2 BrC1=COC=N1 AT22646 [1,0,0,0,1,0|2,0,0]=4 91 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4 92 B6R1.2 FC1=NC=CN1 F31129 [1,0,0,0,1,0|1,0,1]=4