0 B10R1.3 COC1=CN=C(C=O)N=C1 4H56-1-0A [0,0,0,0,0,0|2,0,2]=4 1 B10R1.3 COC1=CN=C(CCl)C=C1 4H07-5-3M [0,0,0,0,0,0|2,0,0]=2 2 B10R1.3 COC1=NC=C(C#N)C=N1 4H37-1-81 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.3 CSC1=NC=C(CBr)C=N1 7H66-9-25 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.3 CSC1=NC=C(CO)C=N1 8H66-1-8N [0,0,0,0,0,0|2,1,0]=3 5 B10R1.3 N#CC1=CC=C(CO)N=C1 4H37-1-64 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.3 NCC1=CC=C(CBr)C=C1 3730-9-07 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CC1=CC=C(CCl)N=C1 3H32-5-CY [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 CC1=CC=C(CN)N=N1 3H30-5-3Z [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 CCC1=CC=C(Br)N=C1 3H32-9-5W [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 CNC1=CC=C(Br)N=C1 3H31-9-0Z [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 CNC1=CC=C(F)C=N1 3H32-3-6Y [1,0,0,0,0,0|3,0,0]=4 12 B9R1.1 CNC1=CC=C(F)C=N1 3H32-7-5E [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 COC1=CC=C(I)N=N1 4H07-H-03 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 COC1=CN=C(O)C=C1 4H07-1-6A [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 COC1=NC=C(I)C=N1 4H56-H-64 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 COC1=NC=C(O)C=N1 4H07-1-5S [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 CSC1=CC=C(O)C=N1 8H66-1-AP [1,0,0,0,0,0|1,1,0]=3 18 B9R1.1 FC1=CC=C(CBr)N=C1 3H32-B-2G [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 NC1=NC=C(CO)C=N1 4H58-1-620 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 NCC1=CC=C(F)C=N1 3H30-7-71 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 NCC1=CC=C(N)C=N1 3H30-1-JC [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 NCC1=CC=C(N)N=C1 3H30-1-Y2 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 OCC1=CC=C(Cl)N=N1 4H01-5-0V [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 OCC1=NC=C(F)C=N1 4H56-3-7Z [1,0,0,0,0,0|3,0,0]=4 25 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 2620-1-57 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 2607-1-R5 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4H58-1-KN [0,1,0,0,0,0|2,0,1]=4 28 B11R1.3 COC1=NC=C(C(F)F)C=N1 4H56-3-ER [0,1,0,0,0,0|3,0,0]=4 29 B11R1.83 CCOC1=CC=C(CBr)C=C1 2707-9-15 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.279 CCC1=CC=C(C=O)C(O)=C1 2715-1-57 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.279 CNC1=CC(F)=C(C#N)C=C1 3637-3-1D [0,1,0,0,0,0|2,0,1]=4 32 B11R1.279 COC1=CC(N)=C(OC)N=C1 4H30-1-C2 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.279 COC1=CC=C(C#N)C(Cl)=N1 4H37-5-09 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.279 COC1=CC=C(C#N)C=C1C 4737-1-0Q [0,1,0,0,0,0|1,0,1]=3 35 B11R1.279 COC1=CC=C(C=O)C(C)=N1 4H15-1-6X [0,1,0,0,0,0|1,0,2]=4 36 B11R1.279 COC1=CC=C(C=O)C(N)=C1 4656-1-0G [0,1,0,0,0,0|0,0,2]=3 37 B11R1.279 COC1=CC=C(C=O)N=C1Br 4H56-9-L2 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.279 COC1=CC=C(CN)C=C1Br 4656-9-50 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.279 COC1=CC=C(CO)C(O)=C1 2607-1-33 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.279 COC1=CC=C(CO)C=C1O 2607-1-24 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.279 CSC1=NC(Cl)=C(CO)C=N1 8H66-5-4R [0,1,0,0,0,0|2,1,0]=4 42 B11R1.279 N#CC1=CC=C(CCl)C(F)=C1 3737-7-07 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.279 N#CC1=CC=C(CO)C(Cl)=C1 4637-5-1J [0,1,0,0,0,0|2,0,0]=3 44 B11R2.190 OCC1=CC=C2C=CC2=C1 2601-1-0H [0,0,0,1,0,0|1,0,1]=3 45 B8R1.2 FCC1=CC=NC=C1 3H32-3-AM [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 ICC1=CC=CN=C1 3H32-H-90 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 NOC1=CC=CC=C1 4647-5-0G [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 SCC1=CC=CN=C1 7H61-1-08 [2,0,0,0,0,0|1,1,0]=4 49 B10R1.1 C=CCC1=CC=C(Br)C=C1 1900-9-03 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.1 CCCC1=CC=C(F)C=C1 1700-3-14 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.1 CCOC1=CC=C(N)N=C1 4H30-1-AC [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 CCOC1=CC=C(O)C=N1 4H07-1-4T [1,1,0,0,0,0|1,0,0]=3 53 B10R1.1 CCOC1=NC=C(Cl)C=C1 4H07-5-2R [1,1,0,0,0,0|2,0,0]=4 54 B10R1.1 CCSC1=CC=C(O)C=C1 6666-1-0Z [1,1,0,0,0,0|0,1,0]=3 55 B10R1.1 COCC1=CC=C(Cl)C=C1 2607-5-29 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.1 FC1=CC=C(C[Mg]Cl)C=C1 9112-3-X0 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 1700-D-15 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 1700-7-30 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 CC1=CC=C(C(C)O)C=N1 4H02-1-0E [1,1,0,0,0,0|1,0,0]=3 60 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 6665-5-03 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 2602-5-R0 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.13 NC1=CC=C(B(O)O)C=C1 8660-1-62 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.25 CC1=C(CO)C=NC(F)=C1 4H01-3-2H [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 CC1=CC(Br)=CC=C1CN 3730-D-03 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 CC1=CC(N)=CC=C1CO 4756-1-1T [1,1,0,0,0,0|1,0,0]=3 66 B10R1.25 CC1=CC(O)=C(CO)C=C1 2701-1-1V [1,1,0,0,0,0|0,0,0]=2 67 B10R1.25 CC1=CC(O)=CC=C1C#N 4737-1-0R [1,1,0,0,0,0|1,0,1]=4 68 B10R1.25 CC1=CN=C(CN)C(C)=C1 3H30-5-W9 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.25 CCC1=CC=C(O)C=C1F 2701-3-0D [1,1,0,0,0,0|1,0,0]=3 70 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 3631-7-02 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.25 COC1=C(Br)N=C(Br)C=C1 4H07-9-0R [1,1,0,0,0,0|2,0,0]=4 72 B10R1.25 COC1=CC=C(Br)N=C1F 4H56-B-19 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.25 COC1=CN=C(Br)C=C1O 4H56-9-X1 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.25 COC1=CN=C(Cl)C=C1Cl 4H07-5-3J [1,1,0,0,0,0|2,0,0]=4 75 B10R1.25 COC1=NC=C(C)C=C1N 4H30-1-B2 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.25 COC1=NC=C(Cl)C=C1C 4H07-5-2Q [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 COC1=NC=C(Cl)C=C1Cl 4H47-5-0K [1,1,0,0,0,0|2,0,0]=4 78 B10R1.25 CSC1=CC=C(F)C=C1O 6666-3-0B [1,1,0,0,0,0|1,1,0]=4 79 B10R1.25 CSC1=CC=C(O)C=C1F 6666-3-0C [1,1,0,0,0,0|0,1,0]=3 80 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 2604-5-0D [1,1,0,0,0,0|0,0,0]=2 81 B10R1.176 CC1=CC=C(CN)C=C1Br 3730-9-20 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.176 CC1=CC=C([Mg]Br)C=C1F 9724-B-X0 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.176 CC1=NC=C(CO)C=C1F 4H56-3-EA [1,1,0,0,0,0|1,0,0]=3 84 B10R1.176 COC1=CC(O)=C(F)C=N1 4H07-3-X9 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.176 COC1=CC=C(N)C(F)=C1 4656-3-57 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.176 COC1=CC=C(S)C(N)=C1 8661-1-00 [1,1,0,0,0,0|0,1,0]=3 87 B10R1.176 FC1=CC=C(CCl)C=C1I 1700-P-00 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.176 NC1=CC(CO)=CC=C1F 4656-3-44 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.176 NC1=CC=C(CO)C=C1N 4656-1-4A [1,1,0,0,0,0|1,0,0]=3 90 B10R1.176 OCC1=CC=C(Br)C(Cl)=C1 2601-D-11 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 2604-5-0F [1,1,0,0,0,0|1,0,0]=3 92 B10R1.176 OCC1=CN=C(Cl)C(Br)=C1 4H56-D-69 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 2717-5-0B [0,2,0,0,0,0|2,0,0]=4 94 B12R1.5 COC1=CC=C(C(=O)CCl)C=N1 4H17-5-1Z [0,2,0,0,0,0|2,0,0]=4 95 B12R1.5 COC1=CC=C(C(N)C#N)C=C1 4637-5-0R [0,2,0,0,0,0|1,0,0]=3 96 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 4648-1-5D [0,2,0,0,0,0|0,0,2]=4 97 B12R1.5 O=C(CBr)C1=CC=C(CF)C=C1 2717-B-0B [0,2,0,0,0,0|2,0,0]=4 98 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 2607-1-X2 [0,2,0,0,0,0|0,0,0]=2 99 B12R1.48 COC1=C(Br)C=C(C(=O)Cl)C=C1 2616-D-04 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.48 COC1=C(Br)C=C(N(C)C)C=C1 4656-9-0P [0,2,0,0,0,0|2,0,0]=4 101 B12R1.48 COC1=C(C)C=C(C(N)=O)C=C1 4748-1-1C [0,2,0,0,0,0|0,0,2]=4 102 B12R1.256 CC(O)C1=CC=C(B(O)O)C=C1 6660-1-66 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 4648-1-82 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 4H30-1-CT [0,2,0,0,0,0|1,0,1]=4 105 B12R1.452 O=[N+]([O-])C1=C(Cl)C=C(CO)C=C1 4654-5-1R [0,2,0,0,0,0|2,0,0]=4 106 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 2723-9-19 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 2721-5-31 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.114 CCOC1=C(O)C=C(OC)C=C1 2608-1-1B [0,2,0,0,0,0|1,0,0]=3 109 B12R1.116 [C-]#[N+]CC1=CC=C(OCC)C=C1 4637-1-6C [0,2,0,0,0,0|1,0,0]=3 110 B12R1.288 C=CCC1=CC=C(OC)C(F)=C1 2907-3-12 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.288 CCOC1=CC=C(C=O)C(Cl)=C1 2615-5-1C [0,2,0,0,0,0|0,0,2]=4 112 B12R1.288 COC1=C(Cl)C=C(\C=N\O)C=C1 4647-5-E1 [0,2,0,0,0,0|0,0,1]=3 113 B12R1.288 COC1=CC=C(CC#N)C=C1N 4637-5-17 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.288 COC1=CC=C(CCO)C=C1F 2707-3-25 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 4637-1-5P [0,2,0,0,0,0|2,0,0]=4 116 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 2715-1-43 [0,2,0,0,0,0|0,0,2]=4 117 B12R1.301 COC1=CC(C)=C(C=O)C(O)=C1 2715-1-58 [0,2,0,0,0,0|0,0,2]=4 118 B12R1.301 COC1=CC(C)=C(CO)C(C)=C1 2707-1-41 [0,2,0,0,0,0|0,0,0]=2 119 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 2615-5-23 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.301 COC1=CC(O)=C(C=O)C(Br)=C1 2615-9-46 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.301 COC1=CC(O)=C(C=O)C(Cl)=C1 2615-5-0W [0,2,0,0,0,0|0,0,2]=4 122 B12R1.450 COC1=CC(Br)=C(OC)C=C1O 2608-9-09 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.450 COC1=CC(I)=C(OC)C=C1Cl 2608-M-X1 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.653 COC1=C(C)C(N)=C(C#N)C=C1 4756-1-1V [0,2,0,0,0,0|1,0,1]=4 125 B12R1.653 COC1=CC=C(OC)C(C)=C1C 2707-1-0P [0,2,0,0,0,0|2,0,0]=4 126 B10R1.2 COC1=CC=CC(O)=C1C 2707-1-48 [0,0,1,1,0,0|0,0,2]=4 127 B12R2.44 NCC1=CC=C2OC=NC2=C1 4H56-5-KH [0,1,0,1,0,0|1,0,1]=4 128 B12R2.44 O=CC1=CC2=C(C=C1)COC2 2H15-1-0P [0,1,0,1,0,0|0,0,2]=4 129 B12R2.44 OCC1=CC=C2OC=CC2=C1 2H10-1-0H [0,1,0,1,0,0|0,0,1]=3 130 B8R1.1 CC1=NC=C(CO)O1 4H01-1-5U [1,0,0,0,1,0|2,0,0]=4 131 B10R1.172 C=CC1=CC(OC)=CC=N1 4H07-1-1W [0,0,0,0,1,1|1,0,1]=4 132 B10R1.172 CNC1=CC=CC(CO)=C1 4656-1-0E [0,0,0,0,1,1|1,0,0]=3 133 B10R1.172 OCC1=CC=NC(CO)=C1 4H04-1-18 [0,0,0,0,1,1|2,0,0]=4