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(Br)C=C1 68606 [0,1,0,0,0,0|2,0,1]=4 3 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [0,1,0,0,0,0|2,0,1]=4 4 B9R1.1 FC1=CN=C(CCl)N=C1 P16513 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,0|2,0,1]=4 6 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.2 NCC1=CC(=O)N=CN1 38507 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25776 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.6 OB(O)C1=NC=CN=C1 A51297 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.8 CCNC1=CC=CN=N1 79166 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,1,0,0,0,0|1,1,0]=3 25 B9R1.8 N#CCC1=CN=CN=C1 P10849 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.8 N#CCC1=NN=CC=C1 88651 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.8 NNCC1=CC=NC=C1 78931 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.15 CC1=C(CN)N=NC=C1 P17707 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [0,1,0,0,0,0|1,0,2]=4 35 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.15 OCC1=C(Br)C=NC=N1 AC8251 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.1 NCC1=CON=C1 H10991 [0,0,0,0,1,0|3,0,0]=4 40 B7R1.1 OCC1=NN=CO1 AT18766 [0,0,0,0,1,0|3,0,0]=4 41 B7R1.1 OCC1=NSC=C1 AT21123 [0,0,0,0,1,0|2,0,0]=3 42 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,0,0,0,1,0|0,0,3]=4 43 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,1,0,0,0,0|1,0,1]=4 44 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.5 CC1=CN=NC=C1N P18597 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.1 NCC1=CC=C(F)S1 38845 [0,1,0,0,1,0|2,0,0]=4 48 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,1,0|1,0,0]=3 49 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,1,0,0,1,0|2,0,0]=4 50 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,1,0,0,1,0|2,0,0]=4 51 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,1,0,0,1,0|2,0,0]=4 52 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.8 COCC1=NNC=C1 AC8210 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.1 COCC1=NC=C(O)C=N1 P15188 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 Y14749 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96437 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 Y12111 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 96125 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12227 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y14559 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10226 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,2,0,0,0,0|1,0,1]=4 67 B10R1.13 OC1=CN=C(C(F)F)C=C1 O11507 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.25 NC1=CC(Cl)=CN=C1CO P14259 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.25 NCC1=C(Cl)C=C(F)C=N1 BL010216 [0,2,0,0,0,0|2,0,0]=4 71 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [0,2,0,0,0,0|2,0,0]=4 73 B10R1.176 FC1=C(Br)C=C(CCl)C=N1 C71877 [0,2,0,0,0,0|2,0,0]=4 74 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.176 NCC1=CN=C(Cl)C(Cl)=C1 D79849 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.176 OCC1=CC(Br)=C(F)N=C1 P17928 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,2,0,0,0,0|0,0,0]=2 81 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,2,0,0,0,0|0,0,0]=2 82 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.8 CC1=CC(Br)=CC(CN)=N1 C76956 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.8 NCC1=CC(F)=CC(O)=C1 Y14108 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.8 OCC1=CC(Br)=CC(Br)=N1 D96598 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.30 ClCC1=CC(Cl)=CN=C1Br C71880 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.30 NCC1=CC(Br)=CN=C1F 79416 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D96410 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11109 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11455 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 90835 [0,2,0,0,0,0|2,0,0]=4 100 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90541 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y13928 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.113 NC1=CC(C(F)F)=NC=C1 C90223 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.113 NC1=CC=CC(C(F)F)=N1 C72274 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.61 CC(C)C1=C(Br)C=NC=C1 AT12875 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74085 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 74087 [0,2,0,0,0,0|2,0,0]=4 115 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,2,0,0,0,0|1,0,1]=4 117 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [0,2,0,0,0,0|1,0,1]=4 118 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.20 COC1=NC=NC=C1CO F30437 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.20 COC1=NN=CC=C1CO F30441 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.20 NCC1=C(CO)C=CC=N1 C71511 [0,2,0,0,0,0|1,0,0]=3 123 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,2,0,0,0,0|1,0,0]=3 124 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,2,0,0,0,0|0,0,2]=4 125 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,2,0,0,0,0|1,0,0]=3 126 B10R1.245 CC1=CN=CC(C)=C1CO 51705 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,2,0,0,0,0|1,0,1]=4 128 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,2,0,0,0,0|1,0,0]=3 130 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,1,0,1,0,0|1,0,0]=3 131 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4