0 B7R1.3 IC1=CC=CC=C1 102614 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 O=C1C=CCCC1 19980 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.2 NCC1=NC=CC=C1 21601 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.3 ClC1=CC=C(I)N=C1 101633 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.3 FC1=CN=C(F)C=C1 102007 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.4 BrC1=CC(I)=CN=C1 101632 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.4 CC1=CC=CC(I)=N1 100813 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.4 CC1=CC=NC(S)=N1 20214 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.4 ClC1=CC(I)=CC=N1 100082 [0,1,0,0,0,0|1,0,0]=2 12 B8R1.4 ClC1=CC=NC(Cl)=C1 100096 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.4 FC1=CC=NC(F)=C1 100267 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.4 FC1=CN=CC(F)=C1 101992 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.4 FC1=NC=CC(Cl)=C1 102387 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.4 FC1=NC=CC(I)=C1 101074 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.4 NC1=CC(F)=CC=C1 20479 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.4 NC1=CC=CC(N)=C1 21487 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.4 NC1=NC(F)=CC=C1 101259 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.4 O=C1C=CNC(=O)N1 12125 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.4 O=C1C=CNC(=O)O1 474 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.5 BrC1=C(I)C=NC=C1 100763 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.5 BrC1=CC=CN=C1I 101630 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.5 CC1=CC=CN=C1O 20633 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.5 ClC1=CC=CN=C1I 101634 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.5 ClC1=CC=NC=C1Cl 100094 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.5 ClC1=NC=CC=C1I 100075 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.5 FC1=C(Cl)C=CN=C1 102021 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.5 FC1=C(I)C=CC=C1 102030 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.5 FC1=CC=CN=C1Cl 102016 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.5 FC1=CC=CN=C1F 102003 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.5 FC1=NC=CC=C1Cl 101990 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.5 FC1=NC=CC=C1I 102077 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.5 NC1=CC=CC=C1N 22078 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.5 NC1=CC=CN=C1Cl 20953 [0,1,0,0,0,0|2,0,0]=3 37 B6R1.2 CC1=NNC=C1 16756 [0,0,0,0,1,0|2,0,1]=4 38 B6R1.2 NC1=NN=NS1 10118 [0,0,0,0,1,0|3,0,0]=4 39 B6R1.2 O=C1C=CCC1 16113 [0,0,0,0,1,0|1,0,2]=4 40 B6R1.2 OC1=NNC=C1 20767 [0,0,0,0,1,0|2,0,1]=4 41 B6R1.2 S=C1C=CSS1 14968 [0,0,0,0,1,0|3,0,0]=4 42 B7R1.1 C[Se]C1=CSC=C1 19191 [0,1,0,0,1,0|2,0,0]=4 43 B7R1.1 NCC1=CN=CN1 21313 [0,1,0,0,1,0|1,0,0]=3 44 B7R1.2 CC1=CC(C)=NN1 16674 [0,1,0,0,1,0|2,0,0]=4 45 B7R1.2 CC1=CC(C)=NN1 22069 [0,1,0,0,1,0|2,0,0]=4 46 B7R1.2 CC1=CC(C)=NN1 537 [0,1,0,0,1,0|2,0,0]=4 47 B7R1.2 CC1=NSC(N)=N1 22407 [0,1,0,0,1,0|2,0,0]=4 48 B7R1.4 CN1C=NC=C1Cl 21325 [0,1,0,0,1,0|2,0,0]=4 49 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [0,2,0,0,0,0|1,0,1]=4 53 B9R1.2 CC1=CC=NC(C#N)=C1 1228 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.2 CNC1=CC=CC(F)=N1 101262 [0,2,0,0,0,0|2,0,0]=4 55 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.2 NCC1=CC=CC(N)=C1 102876 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.2 NNC1=CC=NC(F)=C1 103017 [0,2,0,0,0,0|0,0,0]=2 58 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [0,2,0,0,0,0|1,0,1]=4 59 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [0,2,0,0,0,0|1,0,1]=4 60 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.8 COCC1=CC=CC=C1 102522 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.8 NCCC1=CC=CC=C1 11614 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.8 NCCC1=CC=CC=C1 12328 [0,2,0,0,0,0|1,0,0]=3 69 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [0,2,0,0,0,0|1,0,1]=4 70 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.15 CC1=C(CO)C=NC=C1 15752 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.15 CC1=CC=CC=C1CCl 16097 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.15 NCC1=C(O)C=CC=C1 103068 [0,2,0,0,0,0|1,0,0]=3 74 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.15 O=CC1=CC=CC=C1O 20957 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.69 ClC1=CC(Cl)=NC=C1Br 102389 [0,2,0,0,0,0|1,0,0]=3 78 B9R1.69 ClC1=CC(Cl)=NC=C1I 100067 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.69 ClC1=CN=C(Cl)C=C1I 100087 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.69 ClC1=NC=C(Br)C(I)=C1 100736 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.69 FC1=CC(F)=NC=C1I 102011 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.69 FC1=CC(I)=CC=C1I 102040 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.69 FC1=CN=C(F)C=C1Cl 102006 [0,2,0,0,0,0|1,0,0]=3 84 B9R1.69 FC1=CN=C(F)C=C1I 101042 [0,2,0,0,0,0|1,0,0]=3 85 B9R1.69 NC1=C(Br)C=CC(F)=N1 101265 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.69 NC1=C(S)C=CC(Cl)=C1 519 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.69 NC1=NC(F)=CC=C1Cl 101254 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.69 O=C1C=C(Cl)NC=C1Cl 100085 [0,2,0,0,0,0|1,0,1]=4 89 B9R1.3 CC1=C(Br)C=CC=C1Br 100362 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.3 CC1=C(N)C=CC=C1N 20955 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.3 ClC1=C(Br)C=CC=C1Br 101220 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.3 ClC1=CC=CC(Cl)=C1I 101146 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.3 ClC1=CC=NC(Cl)=C1I 100076 [0,2,0,0,0,0|1,0,0]=3 94 B9R1.3 ClC1=CN=CC(Cl)=C1Br 100081 [0,2,0,0,0,0|1,0,0]=3 95 B9R1.3 ClC1=CN=CC(Cl)=C1I 100079 [0,2,0,0,0,0|1,0,0]=3 96 B9R1.3 FC1=C(Br)C(I)=CC=C1 101307 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.3 FC1=C(Cl)C(Cl)=CN=C1 101991 [0,2,0,0,0,0|1,0,0]=3 98 B9R1.3 FC1=C(F)C(Cl)=CN=C1 101994 [0,2,0,0,0,0|1,0,0]=3 99 B9R1.3 FC1=C(I)C(Cl)=CN=C1 101049 [0,2,0,0,0,0|1,0,0]=3 100 B9R1.3 FC1=C(I)C=CC=C1I 102043 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.3 FC1=CC=CC(F)=C1I 102026 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.3 FC1=CC=CC(I)=C1F 102027 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.3 FC1=CC=CC(I)=C1I 102042 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.3 FC1=CC=NC(F)=C1I 100248 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.3 FC1=CN=CC(F)=C1Br 101989 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.3 FC1=NC=CC(Cl)=C1Cl 102008 [0,2,0,0,0,0|1,0,0]=3 107 B9R1.3 FC1=NC=CC(F)=C1Cl 102009 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.3 FC1=NC=CC(F)=C1F 101993 [0,2,0,0,0,0|1,0,0]=3 109 B9R1.34 BrC1=CC(Br)=NC(Br)=N1 102968 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.34 CC1=CC(=S)C=C(C)O1 13645 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.34 CC1=CC(C)=NC(S)=N1 21453 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 101956 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.34 CC1=CC(O)=NC(O)=C1 15779 [0,2,0,0,0,0|1,0,0]=3 114 B9R1.34 ClC1=CC(Br)=CC(Br)=C1 101137 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.34 ClC1=CC(Cl)=NC(Cl)=N1 102279 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.34 ClC1=CC(I)=CC(Cl)=N1 101257 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.34 FC1=CC(F)=CC(I)=C1 100924 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.34 FC1=CC(F)=NC(Br)=C1 101998 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.34 FC1=CC(I)=CC(F)=N1 100258 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.34 FC1=CC(I)=CC(I)=C1 100928 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.34 NC1=CC(F)=NC(F)=C1 100245 [0,2,0,0,0,0|0,0,0]=2 122 B9R2.50 C1=CC=C2CCC2=C1 16437 [0,1,0,1,0,0|2,0,0]=4 123 B5R1.1 C1=CNN=C1 101248 [1,0,0,0,1,0|1,0,0]=3