0 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 4756-5-16 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.22 CC1=CC=C(C(O)CN)C=C1 4756-5-0A [0,0,0,0,0,0|2,0,1]=3 2 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 4756-1-RV [0,0,0,0,0,0|1,0,2]=3 3 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 4656-9-S3 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 2604-5-R1 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 3637-5-12 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.1 C=CCC1=CC=C(Br)C=C1 1900-9-03 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.1 CCCC1=CC=C(F)C=C1 1700-3-14 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 COCC1=CC=C(Cl)C=C1 2607-5-29 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.1 FC1=CC=C(C[Mg]Cl)C=C1 9112-3-X0 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 1700-D-15 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.13 CC(C)C1=CC=C(N)N=C1 3H30-1-3E [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 4H55-1-1C [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 1700-7-30 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CC1=CC=C(C(C)O)C=N1 4H02-1-0E [1,0,0,0,0,0|1,0,1]=3 15 B10R1.13 CC1=CN=C([C@H](C)N)N=C1 3H30-1-SD [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 6665-5-03 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 2602-5-R0 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.13 C[C@H](N)C1=CC=C(Cl)N=C1 3H30-5-S6 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.13 NC1=CC=C(C(=O)Cl)C=C1 4630-5-0B [1,0,0,0,0,0|2,0,1]=4 20 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [1,0,0,0,0,0|0,0,0]=1 23 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 3H37-1-AY [1,0,0,0,0,0|3,0,0]=4 25 B12R1.5 COC1=CC=C(C(N)C#N)C=C1 4637-5-0R [0,1,0,0,0,0|2,0,1]=4 26 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 4648-1-5D [0,1,0,0,0,0|1,0,0]=2 27 B12R1.12 COC(OC)C1=CC=C(N)C=C1 4656-1-7D [0,1,0,0,0,0|3,0,0]=4 28 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2629-9-S0 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 2629-5-S4 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 2629-9-R0 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.79 NC1CC1C2=CC=C(F)C=C2 3730-3-28 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 3H32-5-TL [0,0,0,1,0,0|3,0,0]=4 33 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 3H31-5-9A [0,0,0,1,0,0|2,0,1]=4 34 B10R1.14 [C-]#[N+]C(C)C1=CC=C(C)S1 7H37-1-0U [0,0,0,0,1,0|3,0,0]=4 35 B9R1.1 CC1=CC=C(CCl)N=C1 3H32-5-CY [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 CCC1=CC=C(Br)N=C1 3H32-9-5W [2,0,0,0,0,0|2,0,0]=4 37 B11R1.1 C=CCCC1=CC=C(Br)C=C1 1900-9-X3 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 1900-5-15 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 4H57-1-02 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 2620-1-57 [1,1,0,0,0,0|0,0,1]=3 41 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 2607-1-R5 [1,1,0,0,0,0|0,0,1]=3 42 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 8H32-1-00 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 8H64-1-74 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 6663-H-00 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.21 CC(=O)C1=CC(O)=C(Cl)C=C1 2617-5-1G [1,1,0,0,0,0|1,0,1]=4 46 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 4756-1-1S [1,1,0,0,0,0|0,0,1]=3 47 B11R1.21 CC(=O)C1=CC=C(N)C(Cl)=C1 4656-5-2D [1,1,0,0,0,0|1,0,1]=4 48 B11R1.21 CC(=O)C1=CC=C(N)C(I)=C1 4656-H-0A [1,1,0,0,0,0|1,0,1]=4 49 B11R1.21 CC(C)C1=CC=C(F)C(O)=C1 2701-3-0S [1,1,0,0,0,0|1,0,1]=4 50 B11R1.166 CC1=CC(Br)=C(C(N)=O)C=C1 4748-9-0B [1,1,0,0,0,0|1,0,1]=4 51 B11R1.166 C[C@@H](N)C1=CC=C(Cl)C=C1Cl 3630-5-R2 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 3631-F-S0 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.166 C[C@H](N)C1=CC=C(Cl)C=C1Cl 3630-5-S2 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4656-1-2W [1,1,0,0,0,0|1,0,1]=4 55 B11R1.16 CC(CCN)C1=CC=CC=C1 3630-1-26 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.16 CC(NC=O)C1=CN=CC=C1 4H48-1-3J [1,1,0,0,0,0|1,0,0]=3 57 B11R1.16 CC(NC=O)C1=NC=CC=C1 4H48-1-3H [1,1,0,0,0,0|1,0,0]=3 58 B11R1.23 CC(C=O)C1=CC(Br)=CC=C1 2615-9-0J [1,1,0,0,0,0|0,0,0]=2 59 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [1,1,0,0,0,0|1,0,0]=3 61 B13R1.133 CC(=O)C(C)OC1=CC=C(C)C=C1 2717-1-0H [0,1,0,0,0,1|0,0,0]=2 62 B13R1.133 CC(=O)C(C)OC1=CC=C(Cl)C=C1 2617-5-0G [0,1,0,0,0,1|1,0,0]=3 63 B13R1.133 CC(=O)C(C)OC1=CC=C(F)C=C1 2617-3-0L [0,1,0,0,0,1|1,0,0]=3 64 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,1,0,0,0,1|1,0,0]=3 65 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 2629-1-S3 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.187 COC1=CC=C(C(C)(O)CN)C=C1 4H56-5-4N [0,2,0,0,0,0|1,0,1]=4 72 B13R1.522 CC(O)(C(=O)O)C1=CC=C(Cl)C=C1 2629-5-45 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.522 CC(O)(C(=O)O)C1=CC=C(F)C=C1 2629-3-0F [0,2,0,0,0,0|1,0,0]=3 74 B13R1.522 CC1=CC=C(C(F)(F)C(=O)O)C=C1 2721-3-0J [0,2,0,0,0,0|1,0,0]=3 75 B13R1.522 C[C@](O)(C(=O)O)C1=CC=C(Cl)C=C1 2629-5-R2 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.522 O=C(O)C(F)(F)C1=CC=C(Br)C=C1 2621-B-57 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.961 N#CC(C=O)C1=C(Cl)C=C(Cl)C=C1 4637-5-ZE [0,2,0,0,0,0|1,0,1]=4 78 B13R1.163 NC(C(=O)O)C1=CC=C(Br)C=C1F 4657-F-01 [0,2,0,0,0,0|2,0,0]=4 79 B11R2.36 CC1=CC=C2CCNC2=C1 3H31-1-8V [1,0,0,1,0,0|1,0,1]=4 80 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3630-5-34 [1,0,0,1,0,0|1,0,1]=4 81 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3632-5-07 [1,0,0,1,0,0|1,0,1]=4 82 B11R2.40 CC1(C2=CC=CC=C2)CN1 3631-1-07 [1,0,0,1,0,0|1,0,1]=4 83 B11R2.988 NCC1CC2=CC=CC=C21 3630-1-0F [1,0,0,1,0,0|1,0,1]=4 84 B13R2.3028 CN1CC2=CC=C(Br)C=C2C1=O 4H48-9-U1 [0,0,0,1,0,1|2,0,0]=4 85 B13R2.3028 CN1CC2=CC=C(N)C=C2C1=O 4H48-1-AX [0,0,0,1,0,1|2,0,0]=4 86 B13R2.2130 COC1=CC=C2C(=C1)N=CN2C 4H07-1-3F [0,1,0,1,0,0|2,0,0]=4 87 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 2617-9-30 [0,1,0,1,0,0|1,0,0]=3 88 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 4H48-1-046 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.40 CC(C#N)NC1=CC=CC=C1 3637-1-25 [1,0,0,0,0,1|1,0,1]=4