0 B10R1.61 CC(F)C1=C(Br)C=CC=C1 035830 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 CS(=O)C1=C(Cl)C=CC=C1 064490 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CS(=O)C1=C(F)C=CC=C1 064511 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 NC(=O)C1=NC=CC=C1F 094552 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 CC1=C(CS)C=CC=C1 105405 [1,0,0,0,0,0|1,1,1]=4 5 B9R1.15 CC1=CC=NC=C1C=O 065210 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 CSC1=C(S)C=CC=C1 037946 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.53 COC1=C(S(C)=O)C=CC=C1 064503 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.156 CC1=CC=CC(Br)=C1C(=O)Cl 062788 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.156 CS(=O)C1=C(Cl)C=CC=C1Cl 064531 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.156 NC(=O)C1=C(N)C=CC=C1Cl 094028 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.156 O=[N+]([O-])C1=C(Br)C=CC=C1I 331049 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.159 NC(=O)C1=C(N)C(Br)=CC=C1 237912 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.159 O=C(Cl)C1=C(Cl)C(Br)=CC=C1 062764 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.159 O=[N+]([O-])C1=C(Br)C(Cl)=CC=C1 222660 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.159 O=[N+]([O-])C1=CC=CC(F)=C1I 237369 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.166 NC(=O)C1=C(F)C=C(N)C=C1 432306 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1N 068377 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F 093146 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.167 CC(C)C1=CC(Br)=CC=C1O 244071 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.167 CC1=CC(S(C)=O)=C(C)C=C1 064521 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.167 NC(=O)C1=CC(N)=CC=C1Cl 314021 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.167 O=C(Cl)C1=C(Br)C=CC(Cl)=C1 038135 [0,1,0,0,0,0|2,0,0]=3 23 B11R2.1 IC1=NNC2=C1C=CC=C2 076340 [0,0,0,1,0,0|3,0,0]=4 24 B11R2.1 ON1N=NC2=C1C=CC=C2 M02875 [0,0,0,1,0,0|3,0,0]=4 25 B11R2.1 ON1N=NC2=CC=CC=C21 105380 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.41 CC1=C(C(N)=O)C=CS1 512236 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.2 COC1=CC=CC=C1 M03556 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.2 NCC1=CC=CC=C1 098408 [2,0,0,0,0,0|1,0,1]=4 29 B8R1.2 [15NH2]CC1=CC=CC=C1 105185 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 064474 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 064485 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 097856 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.15 C=C(CC)C1=CC=CC=C1 319906 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.113 CC1=CC=CC(S(C)=O)=C1 064559 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 064493 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.113 CS(=O)C1=CC(F)=CC=C1 064508 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.113 CS(=O)C1=CC=CC(Br)=C1 064477 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.25 CC1=CC(C)=C(CO)C=C1 049893 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.25 COC1=C(O)C=C(C)C=C1 009947 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.25 O=CC1=CC=C(Cl)N=C1F 075267 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.25 OCC1=CC=C(Br)C=C1Br 222555 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.25 OCC1=CC=C(Br)C=C1O 217533 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.30 C=CC1=C(F)C=CC(F)=C1 474850 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.30 CC1=CC(CO)=C(C)C=C1 104981 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.30 COC1=CC(C)=CC=C1O 216346 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 O=CC1=C(Cl)C=NC(Cl)=C1 236521 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 OCC1=C(I)C=CC(Br)=C1 331559 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.245 C=CC1=C(F)C=CC=C1F 233345 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.245 O=CC1=C(F)C=CN=C1F 075268 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 235337 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 093789 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.59 O=C(O)C1=C(I)C=C(Br)S1 093792 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.59 O=C(O)C1=C(I)C=C(I)S1 093793 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.124 CC1=C(C(=O)C(=O)O)C=CC=C1 105348 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl 314916 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.224 CC(=O)NC1=C(C)C(Cl)=CC=C1 095839 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.371 O=C(CCl)NC1=CC=CC=C1F 039341 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.46 CC1=CC(C(=O)O)=C(C#N)C=C1 214343 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.46 O=CC1=CC=C(I)C=C1C(=O)O 031124 [0,2,0,0,0,0|0,0,1]=3 60 B12R1.437 CCC1=C(C(=O)Cl)C(C)=CC=C1 069393 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.437 CCC1=CC=CC(C)=C1C(=O)O 038659 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.894 CC1=C(C(=O)O)C(F)=CC=C1F 094991 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.894 NC(=O)C1=C(Cl)C(F)=CC=C1F 005588 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.894 O=C(Cl)C1=C(Br)C(F)=CC=C1F 062757 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.894 O=C(Cl)C1=C(F)C(Br)=CC=C1F 062754 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.894 O=C(Cl)C1=C(F)C(F)=CC=C1Br 062756 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.894 O=C(Cl)C1=C(F)C(F)=CC=C1Cl 043111 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.894 O=C(O)C1=C(I)C(F)=CC=C1F 043161 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 214347 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O 070694 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.1000 CC1=CC(Br)=CC(Cl)=C1C(=O)O 069693 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.1000 O=C(Cl)C1=C(F)C=C(Br)C=C1F 062753 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.3441 COC(=O)C1=C(C)C=CC=C1Br 077316 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.24 COC(=O)C1=CC=CC(Br)=C1Cl 363369 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.24 COC(=O)C1=CC=CC(N)=C1F 232768 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.511 CC1=C(C(=O)O)C=C(Cl)C=C1Br 098519 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.511 CC1=C(C(=O)O)C=C(Cl)C=C1F 075734 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.511 CC1=CC(Br)=CC(C(=O)Cl)=C1Cl 062776 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1Br 062774 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1Cl 062775 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1I 062773 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.511 CC1=CC(C(=O)O)=C(F)C(Br)=C1 098564 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.511 O=C(O)C1=C(Cl)C(Br)=CC(Cl)=C1 098343 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.511 O=C(O)C1=C(Cl)C(Br)=CC(F)=C1 098340 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.511 O=C(O)C1=C(Cl)C(F)=CC(F)=C1 093801 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.511 O=C(O)C1=CC(Cl)=CC(Br)=C1F 302730 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.511 O=C(O)C1=CC(Cl)=CC(F)=C1Cl 232127 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.511 O=C(O)C1=CC(F)=CC(Br)=C1F 362949 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1Cl 069689 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1C 069412 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.893 CC1=C(F)C(Br)=CC=C1C(=O)O 069441 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.893 O=C(Cl)C1=CC=C(Br)C(F)=C1F 070348 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Br)C=C1 069695 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(F)C=C1 093798 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(Cl)C=C1 069713 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.232 CC1=C(C(=O)O)C=C(Cl)C(Br)=C1 069444 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.232 CC1=CC(C(=O)Cl)=C(F)C=C1F 062727 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.232 CC1=CC(C(=O)O)=C(Cl)C=C1F 075720 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.232 CC1=CC(Cl)=C(Cl)C=C1C(=O)O 214354 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.232 CC1=CC(F)=C(C(=O)Cl)C=C1F 062726 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)Cl 062725 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.232 NC1=CC(C(=O)O)=C(Br)C=C1Cl 038736 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1Br 104985 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.452 COC1=CC(C)=C(C(C)=O)C=C1 396494 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.452 COC1=CC=C(C(C)=O)C(Br)=C1 335944 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.1703 COC(=O)C1=CC=C(I)C=C1C 234140 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.1703 O=C(CBr)C1=C(F)C=C(Cl)C=C1 095249 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.453 COC1=CC(C(=O)O)=C(F)C=N1 224662 [0,2,0,0,0,0|2,0,0]=4 109 B12R2.95 O=S1(=O)OC2=C(C=CC=C2)O1 105084 [0,0,0,1,0,1|1,0,1]=4 110 B12R1.125 O=C(O)CSC1=CC=CC=C1Br 033384 [0,0,0,0,0,2|1,0,0]=3 111 B12R1.125 O=C(O)CSC1=CC=CC=C1F 033385 [0,0,0,0,0,2|1,0,0]=3