0 B11R1.266 N#CC1=CC=NC(C(=O)O)=C1 4H58-1-DD [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 NNC1=CC(C(=O)O)=CC=N1 4H39-1-12 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 CC1=CC(N(C)N)=CC=C1 3739-1-01 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.113 CC1=CC=CC(C(F)F)=C1 1700-3-60 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.113 CS(=O)C1=CC(Cl)=CC=C1 6665-5-04 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.113 CS(=O)C1=CC(O)=CC=C1 6665-1-0E [1,0,0,0,0,0|2,0,0]=3 6 B10R1.113 NC(=O)C1=CC=NC(F)=C1 4H48-3-8M [1,0,0,0,0,0|3,0,0]=4 7 B10R1.113 NC1=CC(C(=O)O)=NC=N1 4H57-1-64 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 4H16-D-02 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.113 O=C(Cl)C1=CN=CC(F)=C1 4H16-7-0E [1,0,0,0,0,0|3,0,0]=4 10 B10R1.113 OB(O)C1=CC=NC(O)=C1 8H60-1-4U [1,0,0,0,0,0|2,0,1]=4 11 B10R1.172 C=CC1=CC(OC)=CC=N1 4H07-1-1W [1,0,0,0,0,0|2,0,0]=3 12 B10R1.172 CNC1=CC=CC(CO)=C1 4656-1-0E [1,0,0,0,0,0|1,0,1]=3 13 B10R1.172 CSC1=CC=CC(NN)=C1 7666-5-03 [1,0,0,0,0,0|2,1,0]=4 14 B10R1.172 N#CC1=CC(C=O)=CN=C1 4H37-1-6V [1,0,0,0,0,0|3,0,0]=4 15 B10R1.172 N#CC1=CC=CC(C=O)=N1 4H37-1-63 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.11 CC1=CC(C#N)=CC(C(=O)O)=C1 4737-1-0Y [0,1,0,0,0,0|2,0,0]=3 17 B12R1.11 CC1=CC(C(=O)O)=CC(C=O)=C1 2721-1-3T [0,1,0,0,0,0|2,0,0]=3 18 B12R1.11 O=C(O)C1=CC(CO)=CC(Cl)=C1 2629-5-42 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.56 CC1=CC=C(C(=O)O)C=C1C=O 2721-1-1Y [0,1,0,0,0,0|2,0,0]=3 20 B12R1.56 CCC1=CC(B(O)O)=CC=C1F 6760-3-0T [0,1,0,0,0,0|2,0,1]=4 21 B12R1.56 COC1=C(N)C=CC(C(C)O)=C1 4630-1-0G [0,1,0,0,0,0|1,0,1]=3 22 B12R1.56 COC1=CC(C(C)=O)=CC=C1Br 2617-9-37 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1O 2629-1-0U [0,1,0,0,0,0|2,0,0]=3 24 B12R1.258 CC(=O)C1=CC=CC(C(=O)Cl)=C1 2617-5-0E [0,1,0,0,0,0|2,0,0]=3 25 B12R1.258 CC(C)C1=CC=NC(C(=O)O)=C1 4H21-1-FW [0,1,0,0,0,0|2,0,0]=3 26 B12R1.258 CC(O)C1=CC=CC(B(O)O)=C1 6660-1-67 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 4H21-1-V1 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.279 COCC1=CC=CC([N+](=O)[O-])=C1 4654-1-8N [0,1,0,0,0,0|1,0,1]=3 29 B12R1.435 COC(=O)C1=CC(CO)=CC=N1 4H23-1-FD [0,1,0,0,0,0|3,0,0]=4 30 B12R1.435 COC(=O)C1=CN=CC(OC)=C1 4H23-1-8T [0,1,0,0,0,0|1,0,0]=2 31 B12R1.435 COC1=CC(C(O)CN)=CC=C1 4656-5-2S [0,1,0,0,0,0|1,0,1]=3 32 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 4656-1-SW [0,1,0,0,0,0|1,0,1]=3 33 B12R1.440 CC1=C(C#N)C=CC=C1C(=O)O 4737-1-1D [0,1,0,0,0,0|2,0,0]=3 34 B12R1.440 COC1=CC=CC(B(O)O)=C1Cl 6660-5-34 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.440 COC1=CC=CC([N+](=O)[O-])=C1O 4654-1-4Z [0,1,0,0,0,0|1,0,1]=3 36 B12R1.440 COC1=NC=CC(B(O)O)=C1Cl 8H60-5-40 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.440 O=CC1=C(Br)C(C(=O)O)=CC=C1 2621-9-33 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.440 O=CC1=C(O)C(C(=O)O)=CC=C1 2621-1-3N [0,1,0,0,0,0|2,0,0]=3 39 B12R1.453 CC(=O)C1=C(F)C=CC(C#N)=C1 4637-3-6A [0,1,0,0,0,0|3,0,0]=4 40 B12R1.453 CC1=CC=C(C#N)C=C1C(=O)O 4737-1-1A [0,1,0,0,0,0|2,0,0]=3 41 B12R1.453 COC1=CC=C(F)C(C(=O)O)=N1 4H21-3-5A [0,1,0,0,0,0|1,0,0]=2 42 B12R1.453 COC1=CC=C(F)C(C(C)=O)=C1 2617-3-0U [0,1,0,0,0,0|1,0,0]=2 43 B12R1.453 N#CC1=CC=C(Br)C(C(=O)O)=C1 4637-9-03 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.453 N#CC1=CC=C(F)C(C(N)=O)=C1 4648-3-2B [0,1,0,0,0,0|3,0,0]=4 45 B12R1.453 N#CC1=CC=C(I)C(C(=O)O)=C1 4637-H-05 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.453 O=C(O)C1=CC(CO)=CC=C1F 2729-3-12 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.453 O=CC1=CC=C(Br)C(C(=O)O)=C1 2621-9-34 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.31 CCC1=NOC(C(=O)O)=C1 4H58-1-208 [0,0,0,0,1,0|3,0,0]=4 49 B10R1.39 CCC1=NOC=C1C(=O)O 4H58-1-560 [0,0,0,0,1,0|3,0,0]=4 50 B10R1.39 COC1=CSC=C1C(=O)Cl 6H16-5-07 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.438 CC(=O)CC1=CC=CC(C#N)=C1 4637-1-79 [0,0,0,0,0,1|3,0,0]=4 52 B12R1.438 CC(=O)OC1=CC=CC(CBr)=C1 2723-9-12 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.2 COC1=CC(F)=NC=C1 4H07-3-0Y [2,0,0,0,0,0|2,0,0]=4 54 B9R1.2 COC1=CC=CC(O)=N1 4H07-1-4R [2,0,0,0,0,0|1,0,0]=3 55 B9R1.2 COC1=CC=NC(C)=C1 4H56-1-282 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.2 COC1=CN=CC(F)=C1 4H06-3-00 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.2 CSC1=CN=CC(O)=C1 8H66-1-AQ [2,0,0,0,0,0|1,1,0]=4 58 B9R1.2 OCC1=CC=CC(S)=C1 6661-1-00 [2,0,0,0,0,0|0,1,1]=4 59 B9R1.2 OCC1=CN=CC(O)=C1 4H56-1-0LK [2,0,0,0,0,0|1,0,1]=4 60 B11R1.21 CC(=O)C1=CC(O)=C(Cl)C=C1 2617-5-1G [1,1,0,0,0,0|1,0,0]=3 61 B11R1.21 CC(=O)C1=CC=C(C)C(N)=C1 4756-1-1S [1,1,0,0,0,0|2,0,0]=4 62 B11R1.21 CC(=O)C1=CC=C(N)C(Cl)=C1 4656-5-2D [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 CC(=O)C1=CC=C(N)C(I)=C1 4656-H-0A [1,1,0,0,0,0|2,0,0]=4 64 B11R1.21 CC1=CC(C(N)=O)=NC=C1Br 4H48-9-0S [1,1,0,0,0,0|2,0,0]=4 65 B11R1.21 NC1=CC(C(=O)O)=CN=C1N 4H57-1-15 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.21 O=C(O)C1=CN=C(O)C(O)=C1 4H58-1-499 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.21 O=C(O)C1=C[C@@H](O)[C@H](O)C=C1 2629-1-0M [1,1,0,0,0,0|0,0,2]=4 68 B11R1.23 CC1=CC(C(N)CO)=CC=C1 4656-1-8V [1,1,0,0,0,0|1,0,1]=4 69 B11R1.23 CNC(=O)C1=CC(Cl)=CC=C1 4648-5-2X [1,1,0,0,0,0|2,0,0]=4 70 B11R1.23 COC(=O)C1=CC=NC(C)=C1 4H23-1-DB [1,1,0,0,0,0|1,0,0]=3 71 B11R1.23 COC(=O)C1=CC=NC(C)=N1 4H23-1-D2 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.23 COC(=O)C1=CN=CC(C)=N1 4H58-1-ZY [1,1,0,0,0,0|2,0,0]=4 73 B11R1.23 NC1=CC=CC(C(=O)CBr)=C1 4656-9-0Q [1,1,0,0,0,0|2,0,0]=4 74 B11R1.23 O\N=C(/Cl)C1=CC(F)=CC=C1 4647-7-0B [1,1,0,0,0,0|2,0,0]=4 75 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 4H21-5-19 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.74 NC(=O)C1=CC(O)=NC(O)=C1 4H48-1-WH [1,1,0,0,0,0|2,0,0]=4 77 B11R1.159 CC1=CC=CC(C(N)=O)=C1O 4748-1-46 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.159 N[C@H]1C(C(=O)O)=CC=C[C@@H]1O 4457-1-02 [1,1,0,0,0,0|0,0,2]=4 79 B11R1.159 O=C(O)C1=CN=CC(Cl)=C1Cl 4H21-4-68 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.159 OB(O)C1=CC=CC(O)=C1F 6660-3-72 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.167 CC(=O)C1=CC(O)=CC=C1Cl 2617-5-1F [1,1,0,0,0,0|1,0,0]=3 82 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 4H57-1-73 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 4H21-9-09 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O 4H58-5-5X [1,1,0,0,0,0|2,0,0]=4 85 B11R1.167 NC1=CC=C(Cl)C=C1C(=O)Cl 4630-5-0C [1,1,0,0,0,0|2,0,0]=4 86 B11R1.9 COC1=CC(Br)=CC(CBr)=C1 2707-9-16 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.9 COC1=CC(C=O)=CC(Cl)=N1 4H15-5-42 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.9 N#CC1=CC(Cl)=CC(C=O)=C1 4637-5-1E [1,1,0,0,0,0|2,0,0]=4 89 B11R1.189 CCOC1=CC=CC(OC)=C1 2608-1-24 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.267 CC1=C(C#N)C=CC=C1C=O 4737-1-0X [1,1,0,0,0,0|2,0,0]=4 91 B11R1.280 COC1=C(F)C=CC(CN)=C1 4656-3-BW [1,1,0,0,0,0|1,0,1]=4 92 B11R1.280 COC1=CC=C(F)C(CN)=C1 4756-7-08 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.280 N#CC1=CC(C=O)=CC=C1N 4637-1-48 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.280 O=CC1=C(O)C=CC(CCl)=C1 2615-5-1B [1,1,0,0,0,0|2,0,0]=4 95 B11R1.44 CCC1=CC=C(C(=O)OC)S1 6H23-1-0P [0,1,0,0,1,0|2,0,0]=4 96 B11R1.124 CCOC1=CC=C(C(=O)O)S1 6H66-1-0N [0,1,0,0,1,0|1,0,0]=3 97 B13R1.81 COC1=CC(C[C@H](N)CO)=CC=C1 4656-1-SX [0,1,0,0,0,1|1,0,1]=4 98 B13R1.97 COC1=CN=C(F)C(CC(=O)O)=C1 4H21-3-80 [0,1,0,0,0,1|1,0,0]=3 99 B13R1.642 COC1=CC=CC(C(N)C(=O)O)=C1 4657-1-0E [0,1,0,0,0,1|0,0,0]=2 100 B13R1.126 CC(=O)C1=CC(Br)=CC(C(C)C)=C1 2617-9-0A [0,2,0,0,0,0|2,0,0]=4 101 B13R1.298 N#CC1=CC(C(=O)O)=CC(F)=C1F 4637-3-5C [0,2,0,0,0,0|2,0,0]=4 102 B13R1.299 COC1=CC(Br)=CC(C(=O)O)=C1N 4657-9-10 [0,2,0,0,0,0|0,0,0]=2 103 B13R1.313 COC1=CC(C=O)=CC(C(=O)O)=C1 3621-1-00 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.314 COC(=O)C1=CC(Br)=CC(OC)=C1 2623-9-05 [0,2,0,0,0,0|0,0,0]=2 105 B13R1.314 COC(=O)C1=CC(C=O)=CC(C)=C1 2723-1-0G [0,2,0,0,0,0|2,0,0]=4 106 B13R1.314 COC(=O)C1=CC(Cl)=CC(CO)=C1 2629-5-41 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.314 COC(=O)C1=CC(N)=CC(CO)=C1 4658-1-95 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.13 CC(C)C1=CC=C(O)C(C(=O)O)=C1 2729-1-74 [0,2,0,0,0,0|1,0,0]=3 109 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 2620-1-0Q [0,2,0,0,0,0|1,0,0]=3 110 B13R1.49 COC(=O)C1=CN=C(Cl)C(OC)=C1 4H23-5-X1 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.50 COC1=CC(S(=O)(=O)Cl)=CC=C1Cl 6662-5-0J [0,2,0,0,0,0|1,0,1]=4 112 B13R1.651 COC1=CC(C(C)=O)=C(N)C=C1F 4656-3-C0 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.651 COC1=CC([N+](=O)[O-])=C(C)C=C1Br 4754-9-48 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 4954-1-0A [0,2,0,0,0,0|1,0,1]=4 115 B13R1.3091 CCC1=CC(C(C)=O)=CC=C1CO 2717-1-0U [0,2,0,0,0,0|2,0,0]=4 116 B13R1.3091 COC1=CC=C(C(=O)O)C=C1C#N 4637-1-3H [0,2,0,0,0,0|2,0,0]=4 117 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1C 2723-9-23 [0,2,0,0,0,0|0,0,0]=2 118 B13R1.3230 COC1=C(Br)C=CC(C(=O)O)=C1F 2621-B-10 [0,2,0,0,0,0|0,0,0]=2 119 B13R1.345 CC(C)(O)C1=CC=CC(C(=O)O)=C1 2621-1-0V [0,2,0,0,0,0|1,0,0]=3 120 B13R1.543 COC(=O)C1=CC=CC(C(C)O)=C1 2629-1-1R [0,2,0,0,0,0|1,0,0]=3 121 B13R1.543 COC(=O)C1=CC=NC(C(C)=O)=C1 4H58-1-ZW [0,2,0,0,0,0|2,0,0]=4 122 B13R1.3801 CC1=C(C(=O)O)C=CC=C1C(=O)O 2721-1-3Y [0,2,0,0,0,0|2,0,0]=4 123 B13R1.3801 O=C(O)C1=C(Cl)C(B(O)O)=CC=C1 6660-5-0F [0,2,0,0,0,0|2,0,0]=4 124 B13R1.3801 O=C(O)C1=CC=CC(C(=O)O)=C1F 2621-3-5V [0,2,0,0,0,0|2,0,0]=4 125 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 4658-3-42 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.568 CNCCC1=CC=CC(C(=O)O)=C1 4658-5-21 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.82 COC(=O)C1=CC=CC(C=O)=C1F 2623-3-87 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.460 C#CC1=CC(C(=O)OCC)=CC=C1 2923-1-0A [0,2,0,0,0,0|1,0,1]=4 129 B13R1.2431 COC(=O)C1=C(F)C=CC(C#N)=C1 4637-3-4T [0,2,0,0,0,0|2,0,0]=4 130 B13R1.2431 COC(=O)C1=CC(C=O)=CC=C1Br 2623-9-43 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.2431 COC(=O)C1=CC(C=O)=CC=C1O 2629-1-U7 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.98 COC1=CC=C(Br)C(S(N)(=O)=O)=C1 8669-9-0B [0,2,0,0,0,0|1,0,1]=4 133 B13R1.2137 COC1=CC=CC(C(C)=O)=C1OC 2617-1-1H [0,2,0,0,0,0|1,0,0]=3 134 B13R1.3097 N#CC1=C(F)C(C(=O)O)=C(F)C=C1 4637-3-2K [0,2,0,0,0,0|2,0,0]=4 135 B11R1.37 C=CC1=C(OC)C=CC(N)=C1 4956-1-0A [0,0,1,1,0,0|2,0,0]=4 136 B11R1.37 COC1=CC=C(O)C=C1C=O 2620-1-59 [0,0,1,1,0,0|2,0,0]=4 137 B13R2.581 CCC1=CC=CC2=C1NC(=O)N2 4H53-1-12 [0,0,0,1,0,1|2,0,0]=4 138 B13R2.581 COC1=C2N=C(Cl)SC2=CC=C1 8H07-5-07 [0,0,0,1,0,1|2,0,0]=4 139 B13R2.581 COC1=CC=CC2=C1NC(=S)O2 8H67-1-0N [0,0,0,1,0,1|1,1,0]=4 140 B13R2.2121 COC1=CC=C2OC(Cl)=NC2=C1 4656-5-1E [0,0,0,1,0,1|1,0,0]=3 141 B13R2.430 CC(=O)C1=CC=C2NCCC2=C1 4H17-1-8E [0,1,0,1,0,0|2,0,0]=4 142 B13R2.430 O=C(O)C1=CC=C2CCCC2=C1 2721-1-3D [0,1,0,1,0,0|1,0,0]=3 143 B13R2.5569 NC(=O)C1=C2N=COC2=CC=C1 4H56-1-22 [0,1,0,1,0,0|1,0,1]=4 144 B13R2.5569 O=C(Cl)C1=CC=CC2=C1OCC2 2H16-5-03 [0,1,0,1,0,0|2,0,0]=4 145 B13R2.5569 O=C(O)C1=C2NN=NC2=CC=C1 4H58-1-605 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.5569 O=[N+]([O-])C1=CC=CC2=C1COC2 4H54-1-H2 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.35 O=C(O)C1=CC(I)=CN1 4H21-H-0D [1,0,0,0,1,0|2,0,0]=4 148 B9R1.41 CC1=C(C(=O)Cl)C=CS1 6H16-5-0A [1,0,0,0,1,0|2,0,0]=4 149 B9R1.41 CC1=C(C(=O)O)SN=C1 8H70-1-88 [1,0,0,0,1,0|2,0,0]=4 150 B9R1.41 CC1=CNC=C1C(=O)O 4H21-1-63 [1,0,0,0,1,0|1,0,0]=3 151 B9R1.41 O=C(O)C1=C(Br)C=CO1 2H21-9-0K [1,0,0,0,1,0|2,0,0]=4 152 B9R1.14 COC1=CSC=C1C=O 6H15-1-0E [1,0,0,0,1,0|1,0,0]=3 153 B11R1.157 O=C(O)CC1=CN=CC(F)=C1 4H58-3-1L [1,0,0,0,0,1|2,0,0]=4 154 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 4H21-1-MJ [0,0,0,0,1,1|2,0,0]=4 155 B11R1.3 CNC1=CC=C(C(=O)O)N=N1 4H57-1-0Q [0,0,0,0,1,1|2,0,0]=4 156 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 2607-1-R5 [0,0,0,0,1,1|1,0,1]=4 157 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4H58-1-KN [0,0,0,0,1,1|1,0,0]=3 158 B11R1.3 O=C(O)C1=CC=C(CBr)N=C1 4H58-9-97 [0,0,0,0,1,1|2,0,0]=4 159 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 4637-1-2J [0,0,0,0,0,2|2,0,0]=4