0 B9R1.1 C=CC1=NC=C(C)N=C1 6751AA [0,0,0,0,0,0|0,0,2]=2 1 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.1 CC1=CC=C(CN)N=N1 0211AA [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [0,0,0,0,0,0|2,0,0]=2 6 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [0,0,0,0,0,0|2,0,0]=2 7 B9R1.1 CCC1=CC=C(Br)N=N1 7660AA [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [0,0,0,0,0,0|1,0,0]=1 9 B9R1.1 COC1=NC=C(C)N=C1 2866AB [0,0,0,0,0,0|1,0,0]=1 10 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.1 CSC1=NC=C(C)N=C1 2880AB [0,0,0,0,0,0|1,0,0]=1 12 B9R1.1 N#CC1=NC=C(Br)C=C1 0012TG [0,0,0,0,0,0|3,0,1]=4 13 B9R1.1 NC1=CC=C(CCl)N=C1 5924AH [0,0,0,0,0,0|3,0,0]=3 14 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 BrCC1=CN=CC=C1 0834AC [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 BrCC1=NC=CC=C1 8088AB [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 BrCC1=NC=CN=C1 Y9584 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.2 CNC1=CC=CC=C1 7883AF [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 ClCC1=CN=CN=C1 0370AA [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 NCC1=CC=NN=C1 7280AB [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 NCC1=NC=CC=N1 Z1925 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 O=CC1=NN=CC=N1 9261AH [1,0,0,0,0,0|2,0,1]=4 23 B8R1.3 CC1=CC=C(C)C=C1 X8103 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.3 CC1=CC=C(O)C=C1 7878AF [1,0,0,0,0,0|3,0,0]=4 25 B8R1.3 NC1=CN=C(N)C=C1 N556 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.1 CCNC1=NC=C(Br)N=C1 3107AJ [0,1,0,0,0,0|1,0,0]=2 28 B10R1.1 CCOC1=NC=C(C)N=C1 0448AC [0,1,0,0,0,0|0,0,0]=1 29 B10R1.1 CNCC1=CC=C(Cl)N=C1 0994AD [0,1,0,0,0,0|2,0,0]=3 30 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [0,1,0,0,0,0|3,0,0]=4 31 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.1 COCC1=NC=C(Br)C=C1 Y3500 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.1 Cl[Zn]CC1=CC=C(Cl)N=C1 X3724 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.3 CCC1=CC=C(CCl)C=C1 O299 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.3 CCC1=CC=C([Mg]Br)C=C1 8146AJ [0,1,0,0,0,0|3,0,0]=4 36 B10R1.3 COC1=CC=C(NN)C=N1 8106AA [0,1,0,0,0,0|3,0,0]=4 37 B10R1.3 COC1=CN=C(CBr)C=C1 0719AB [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 CC(N)C1=NC=C(F)C=N1 9501AH [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 CC1=CC=C(C(=N)N)C=N1 W4264 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.13 CC1=CC=C(C(N)=S)C=N1 5826AD [0,1,0,0,0,0|2,0,1]=4 42 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 C[C@@H](N)C1=NC=C(F)C=N1 8352AH [0,1,0,0,0,0|3,0,0]=4 46 B10R1.25 CC1=CC=C(C#N)C(F)=N1 N315 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.25 COC1=CC=C(C)N=C1F Y3820 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.25 COC1=CN=C(F)C=C1C Y3908 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.25 COC1=NC=C(I)C=C1C Z0408 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.25 CSC1=CC=C(Cl)N=C1Cl Z1280 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.25 CSC1=CC=C(F)N=C1C Y3810 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.176 CC1=C(Cl)C=C(CCl)C=C1 L514 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.176 CC1=C(F)C=C(CO)C=C1 6496AD [0,1,0,0,0,0|3,0,0]=4 55 B10R1.176 CC1=C(F)N=CC(CO)=C1 Y3984 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.176 CCC1=C[N+]([O-])=C(C)C=C1 1981AC [0,1,0,0,0,0|1,0,1]=3 57 B10R1.176 COC1=CC(C)=C(C)C=C1 6400AB [0,1,0,0,0,0|3,0,0]=4 58 B10R1.176 COC1=CN=C(F)C(C)=C1 Y3921 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.176 COC1=C[N+]([O-])=C(C)C=C1 Z3601 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.176 COC1=NC(C)=C(I)C=C1 Y2073 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.176 CSC1=CC=C(C)C(O)=C1 Y3611 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.176 CSC1=NC=C(Br)C(C)=C1 Z0427 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.176 CSC1=NN=C(C)C(C)=N1 8804AE [0,1,0,0,0,0|2,0,0]=3 64 B10R1.176 OCC1=CC(S)=C(O)C=N1 Y3275 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 BrCC1=NC(Br)=NO1 3933AA [0,0,0,0,1,0|3,0,0]=4 66 B8R1.1 CC1=NC(CO)=CN1 6280AB [0,0,0,0,1,0|1,0,1]=3 67 B8R1.1 CC1=NC=C(C#N)S1 1820AJ [0,0,0,0,1,0|2,0,1]=4 68 B8R1.1 CC1=NC=C(CN)S1 8527AH [0,0,0,0,1,0|2,0,0]=3 69 B8R1.1 CC1=NN=C(CN)O1 X9622 [0,0,0,0,1,0|3,0,0]=4 70 B8R1.1 CC1=NNC(CN)=C1 4748AJ [0,0,0,0,1,0|2,0,0]=3 71 B8R1.1 CCC1=CNC(N)=N1 2805AJ [0,0,0,0,1,0|1,0,1]=3 72 B8R1.1 CCC1=NN=C(O)O1 1883AE [0,0,0,0,1,0|3,0,0]=4 73 B8R1.1 CCN1C=C[N+](C)=C1 0694AP [0,0,0,0,1,0|3,0,0]=4 74 B8R1.1 CN1C=CC(CCl)=N1 Y4201 [0,0,0,0,1,0|3,0,0]=4 75 B8R1.1 NCC1=CC(Br)=NO1 8995AD [0,0,0,0,1,0|3,0,0]=4 76 B7R1.3 ClC1=NC=CC=C1 7352AF [2,0,0,0,0,0|2,0,0]=4 77 B7R1.3 FC1=NC=CC=C1 7353AF [2,0,0,0,0,0|2,0,0]=4 78 B9R1.2 CCC1=CC=C[N+]([O-])=C1 7429AA [1,1,0,0,0,0|1,0,1]=4 79 B9R1.2 CCC1=NC(C)=CN=C1 R550 [1,1,0,0,0,0|0,0,0]=2 80 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.2 CSC1=NC(C)=CN=N1 9184AD [1,1,0,0,0,0|2,0,0]=4 82 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,1,0,0,0,0|0,0,0]=2 83 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,1,0,0,0,0|2,0,0]=4 84 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,1,0,0,0,0|1,0,0]=3 85 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.15 CCC1=C(C)C=CN=C1 R348 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.15 CCC1=CC=CN=C1C X8230 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.15 CCC1=CN=CNC1=O 3205AJ [1,1,0,0,0,0|2,0,0]=4 89 B9R1.15 CNC1=NC=CC=C1I Y3706 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.15 FC1=C(CBr)N=CC=C1 4239AA [1,1,0,0,0,0|2,0,0]=4 93 B9R1.69 CC1=CC(N)=C(N)C=N1 3453AC [1,1,0,0,0,0|2,0,0]=4 94 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [1,1,0,0,0,0|1,0,0]=3 95 B9R1.69 CC1=CC=C(F)N=C1C Y3886 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.69 CC1=CN=C(C)C=[N+]1[O-] 0638AC [1,1,0,0,0,0|0,0,1]=3 97 B9R1.69 CC1=CN=C(Cl)C=C1C 1648AJ [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 CC1=CN=C(F)C=C1C Y3913 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 X3720 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.7 CCCC1=CC(N)=NN1 Y7343 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.7 CCCC1=CN=C(Br)O1 Y3059 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.7 CCOC1=NC=C(Br)S1 Y6999 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.7 CN1C=NC(CC=O)=C1 Y1291 [0,1,0,0,1,0|1,0,1]=4 104 B9R1.7 CNCC1=CC(C)=NO1 Y9016 [0,1,0,0,1,0|1,0,0]=3 105 B9R1.7 NCCN1C=NC(Br)=C1 6595AA [0,1,0,0,1,0|2,0,0]=4 106 B9R1.21 CCC1=NC=C(CO)N1 1332AC [0,1,0,0,1,0|0,0,1]=3 107 B9R1.21 COC1=NC=C(CCl)S1 3722AF [0,1,0,0,1,0|2,0,0]=4 108 B9R1.22 CC1=NC(CN)=C(C)O1 Y4347 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.23 CC1=CC(CBr)=NN1C Z2642 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,1,0,0,1,0|1,0,1]=4 111 B9R1.132 CC1=C(CN)C=NN1C 6211AB [0,1,0,0,1,0|2,0,0]=4 112 B11R1.20 CC(C)OC1=CN=C(F)C=C1 Z1060 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.22 OCC(O)C1=CC=C(Br)N=C1 X3543 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.81 CCOC1=CC=C(C)N=C1F Y3506 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.81 CCOC1=CC=C(Cl)N=C1Cl Z0180 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.81 CCOC1=CN=C(Cl)C=C1I 9927AL [0,2,0,0,0,0|2,0,0]=4 117 B11R1.83 C=CCC1=CN=C(OC)C=C1 Y3799 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.83 CCC1=CC=C(CC#N)C=C1 7208AB [0,2,0,0,0,0|2,0,0]=4 119 B11R1.83 CCCC1=CN=C(OC)C=C1 Z1365 [0,2,0,0,0,0|1,0,0]=3 120 B11R1.192 CCNC1=CC(F)=C(C)C=C1 3960AE [0,2,0,0,0,0|2,0,0]=4 121 B11R1.192 CCOC1=NC=C(Cl)C(O)=C1 9887AL [0,2,0,0,0,0|2,0,0]=4 122 B11R1.19 CC(C)(C)C1=CN=C(N)C=N1 Y1707 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.277 CC1=NC(C)=C(C)N=C1CO 1798AC [0,2,0,0,0,0|1,0,0]=3 124 B11R1.280 CCC1=CC=C(Br)C(CC)=N1 W9944 [0,2,0,0,0,0|2,0,0]=4 125 B7R1.1 BrCC1=CSC=N1 Y9346 [1,0,0,0,1,0|2,0,0]=4 126 B7R1.1 BrCC1=NC=CS1 Y7403 [1,0,0,0,1,0|2,0,0]=4 127 B7R1.1 CCN1C=NN=N1 Y5020 [1,0,0,0,1,0|2,0,0]=4 128 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,0,1,0|2,0,0]=4 129 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,0,1,0|1,0,1]=4 130 B7R1.1 COC1=COC=C1 W1886 [1,0,0,0,1,0|2,0,0]=4 131 B7R1.1 COC1=NSC=C1 Z1859 [1,0,0,0,1,0|2,0,0]=4 132 B7R1.1 ClCC1=CC=CO1 Z5545 [1,0,0,0,1,0|2,0,0]=4 133 B7R1.1 ClCC1=COC=C1 W3162 [1,0,0,0,1,0|2,0,0]=4 134 B7R1.1 ClCC1=CSC=N1 9485AJ [1,0,0,0,1,0|2,0,0]=4 135 B7R1.1 ClCC1=NC=CN1 5437AB [1,0,0,0,1,0|1,0,1]=4 136 B7R1.1 NCC1=CN=CO1 Y4206 [1,0,0,0,1,0|2,0,0]=4 137 B7R1.1 NCC1=NC=CO1 4279AC [1,0,0,0,1,0|2,0,0]=4 138 B7R1.1 NCC1=NOC=N1 1943AC [1,0,0,0,1,0|2,0,0]=4 139 B7R1.1 OCC1=CSC=N1 Y7005 [1,0,0,0,1,0|2,0,0]=4 140 B7R1.1 OCC1=NNC=N1 8322AH [1,0,0,0,1,0|2,0,0]=4 141 B7R1.2 CC1=COC(C)=C1 Y6577 [1,0,0,0,1,0|1,0,0]=3 142 B7R1.2 CC1=NC(N)=CO1 7684AA [1,0,0,0,1,0|2,0,0]=4 143 B7R1.2 CN1C=NC(S)=N1 Y6166 [1,0,0,0,1,0|2,0,0]=4 144 B7R1.2 CN1N=CC(N)=N1 5924AC [1,0,0,0,1,0|2,0,0]=4