0 B8R1.2 COC1=CC=CC=C1 M03556 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 NCC1=CC=CC=C1 098408 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 [15NH2]CC1=CC=CC=C1 105185 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.1 CC1=CC=C(CS)C=C1 105406 [0,1,0,0,0,0|0,0,0]=1 4 B9R1.1 CC1=CN=C(CN)C=C1 065464 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.1 CNC1=CC=C(I)C=C1 045902 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.1 COC1=NC=C(I)C=C1 033478 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.2 CC1=CC=CC(CS)=C1 105403 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.2 CSC1=CC=CC(S)=C1 037948 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.6 CC(N)C1=CC=CC=N1 300972 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.8 COCC1=CC=NC=C1 097899 [0,1,0,0,0,0|1,1,0]=3 11 B9R1.8 O=C=NC1=CC=CC=N1 035957 [0,1,0,0,0,0|1,1,1]=4 12 B9R1.8 O=C=NC1=CC=NC=C1 098360 [0,1,0,0,0,0|1,1,1]=4 13 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 480957 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.15 CC1=C(CS)C=CC=C1 105405 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.15 CC1=CC=NC=C1C=O 065210 [0,1,0,0,0,0|1,1,1]=4 16 B9R1.15 CSC1=C(S)C=CC=C1 037946 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.15 N#CC1=NC=CC=C1I 077305 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.15 NNC1=NC=CC=C1Br 061116 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.1 CSC1=CSC=C1 068554 [0,0,0,0,1,0|3,0,0]=4 20 B6R1.1 C1=CC=NC=C1 105575 [2,0,0,0,0,0|1,0,0]=3 21 B8R1.3 CC1=NC=C(I)C=C1 080146 [1,1,0,0,0,0|1,0,0]=3 22 B8R1.3 SC1=CC=C(Cl)C=N1 050298 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.1 SCC1=CN=C(Cl)S1 080205 [0,1,0,0,1,0|2,0,0]=4 24 B8R1.8 BrCCC1=CSC=C1 043805 [0,1,0,0,1,0|2,0,0]=4 25 B10R1.1 CC1=CC=C(CON)C=C1 025883 [0,2,0,0,0,0|0,1,0]=3 26 B10R1.1 CCOC1=CC=C(S)C=C1 038427 [0,2,0,0,0,0|1,0,0]=3 27 B10R1.1 CCSC1=CC=C(S)C=C1 023079 [0,2,0,0,0,0|1,0,0]=3 28 B10R1.1 COCC1=CC=C(N)C=C1 098494 [0,2,0,0,0,0|0,1,0]=3 29 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 101260 [0,2,0,0,0,0|2,0,0]=4 30 B10R1.1 [N-]=[N+]=NC1=CC=C(Cl)C=C1 487259 [0,2,0,0,0,0|2,0,0]=4 31 B10R1.1 [N-]=[N+]=NC1=CC=C(F)C=C1 101259 [0,2,0,0,0,0|2,0,0]=4 32 B10R1.1 [N-]=[N+]=NC1=CC=C(I)C=C1 101258 [0,2,0,0,0,0|2,0,0]=4 33 B10R1.13 CN(C)C1=CC=C(N)C=C1 106160 [0,2,0,0,0,0|2,0,0]=4 34 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 064474 [0,2,0,0,0,0|1,1,0]=4 35 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 064485 [0,2,0,0,0,0|1,1,0]=4 36 B10R1.13 NC1=CC=C(C(F)F)N=C1 234524 [0,2,0,0,0,0|2,0,0]=4 37 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 097856 [0,2,0,0,0,0|1,1,0]=4 38 B10R1.25 CC1=CC(C)=C(CO)C=C1 049893 [0,2,0,0,0,0|0,1,0]=3 39 B10R1.25 CC1=CC=C(CBr)C(C)=C1 221500 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.25 COC1=C(F)C=C(C)C=C1 009215 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.25 COC1=C(F)C=C(I)C=C1 038782 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.25 COC1=C(O)C=C(C)C=C1 009947 [0,2,0,0,0,0|2,0,0]=4 43 B10R1.25 ClC1=CC(Br)=C(CBr)C=C1 097690 [0,2,0,0,0,0|1,0,0]=3 44 B10R1.25 OCC1=CC=C(Br)C=C1Br 222555 [0,2,0,0,0,0|0,1,0]=3 45 B10R1.25 OCC1=CC=C(Br)C=C1O 217533 [0,2,0,0,0,0|0,1,0]=3 46 B10R1.176 C#CC1=CC=C(N)C(F)=C1 045992 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.176 CC1=C(Cl)C=CC(CN)=C1 105224 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.176 CC1=C(N)C=C(CN)C=C1 075753 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.176 CCC1=CC=C(S)C(Br)=C1 061618 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.176 COC1=CC=C(Br)C(S)=C1 062585 [0,2,0,0,0,0|2,0,0]=4 51 B10R1.176 COC1=CC=C(I)C(N)=C1 062579 [0,2,0,0,0,0|2,0,0]=4 52 B10R1.176 COC1=CC=C(S)C(C)=C1 023081 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.176 CSC1=CC=C(Br)C(S)=C1 070273 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.176 CSC1=CC=C(C)C(S)=C1 070026 [0,2,0,0,0,0|2,0,0]=4 55 B10R1.176 CSC1=CC=C(Cl)C(S)=C1 070092 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.176 N#CC1=CC=C(Br)C(I)=C1 050222 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.2 CC1=C(Cl)C(CN)=CC=C1 075958 [0,2,0,0,0,0|1,0,0]=3 58 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 094705 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.2 CSC1=CC=CC(Br)=C1Cl 105294 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.8 C=CC1=CC(Cl)=CC(Cl)=C1 098371 [0,2,0,0,0,0|1,0,1]=4 61 B10R1.8 CNC1=CC(Br)=CC(F)=C1 104894 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.8 COC1=CC(F)=CC(N)=C1 230690 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.10 C=CCC1=CC=CC(C)=C1 022306 [0,2,0,0,0,0|1,0,0]=3 64 B10R1.10 CCOC1=CC(F)=CC=C1 013375 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.10 CCOC1=CC=CC(Br)=N1 080333 [0,2,0,0,0,0|2,0,0]=4 66 B10R1.10 CCOC1=CC=CC(Cl)=N1 324419 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.10 [N-]=[N+]=NC1=CC(F)=CC=C1 101264 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.10 [N-]=[N+]=NC1=CC(I)=CC=C1 101263 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.30 C=CC1=C(F)C=CC(F)=C1 474850 [0,2,0,0,0,0|1,0,1]=4 70 B10R1.30 CC1=C(CBr)C=C(Br)C=C1 246530 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.30 CC1=CC(C#N)=C(Cl)C=C1 070845 [0,2,0,0,0,0|1,0,1]=4 72 B10R1.30 CC1=CC(CN)=C(Cl)C=C1 070846 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.30 CC1=CC(CO)=C(C)C=C1 104981 [0,2,0,0,0,0|0,1,0]=3 74 B10R1.30 CCC1=C(F)C=CC(Br)=C1 037701 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.30 COC1=C(Cl)C=CC(I)=C1 075709 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.30 COC1=C(Cl)C=CC(S)=C1 075710 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.30 COC1=CC(C)=CC=C1Cl 038664 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.30 COC1=CC(C)=CC=C1O 216346 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.30 CSC1=C(F)C=CC(Br)=C1 098206 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.30 ClCC1=C(I)C=CC(Br)=C1 331982 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.30 OCC1=C(I)C=CC(Br)=C1 331559 [0,2,0,0,0,0|0,1,0]=3 82 B10R1.113 CC1=CC=CC(C(C)N)=C1 094296 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.113 CC1=CC=CC(S(C)=O)=C1 064559 [0,2,0,0,0,0|1,1,0]=4 84 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 064493 [0,2,0,0,0,0|1,1,0]=4 85 B10R1.113 CS(=O)C1=CC(F)=CC=C1 064508 [0,2,0,0,0,0|1,1,0]=4 86 B10R1.113 CS(=O)C1=CC=CC(Br)=C1 064477 [0,2,0,0,0,0|1,1,0]=4 87 B10R1.113 FC(F)C1=NC=CC(Br)=C1 321044 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.172 CCC1=CC(C=O)=CC=C1 216622 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.15 C=C(CC)C1=CC=CC=C1 319906 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.15 N#CN(N)C1=CC=CC=C1 184597 [0,2,0,0,0,0|1,0,1]=4 91 B10R1.61 CC(F)C1=C(Br)C=CC=C1 035830 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.61 CS(=O)C1=C(Cl)C=CC=C1 064490 [0,2,0,0,0,0|1,1,0]=4 93 B10R1.61 CS(=O)C1=C(F)C=CC=C1 064511 [0,2,0,0,0,0|1,1,0]=4 94 B10R1.4 CCOC1=C(I)C=CC=C1 038700 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.4 ClC1=C(CCBr)C=CC=C1 020893 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.4 N#COC1=C(Br)C=CC=C1 104805 [0,2,0,0,0,0|1,0,1]=4 97 B10R1.4 [N-]=[N+]=NC1=C(I)C=CC=C1 101266 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.17 BrCCCC1=CC=NC=C1 098416 [0,2,0,0,0,0|2,0,0]=4 99 B10R1.17 CCOCC1=CC=NC=C1 097898 [0,2,0,0,0,0|1,1,0]=4 100 B10R1.17 N#CNCC1=CN=CC=C1 370114 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.18 CN(C)CC1=CC=NC=C1 097893 [0,2,0,0,0,0|2,0,0]=4 102 B10R1.245 C=CC1=C(F)C=CC=C1F 233345 [0,2,0,0,0,0|1,0,1]=4 103 B10R1.245 CC1=C(CBr)C(Cl)=CC=C1 246422 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.245 CC1=CC=CC(Cl)=C1CN 070847 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.245 FC1=CC=CC(Cl)=C1CS 004446 [0,2,0,0,0,0|0,0,0]=2