0 B14R1.744 COC(=O)C1=C(OC(C)=O)C=CC=C1 2623-1-4H [0,0,0,0,0,0|1,0,0]=1 1 B14R1.744 COC(=O)C1=CC=CC=C1CN(C)C 4632-1-0H [0,0,0,0,0,0|3,0,0]=3 2 B13R1.380 CCOC1=C(NC(C)=O)C=CC=C1 4648-1-4G [1,0,0,0,0,0|2,0,0]=3 3 B13R1.382 COC(=O)C1=CC=CC=C1CC#N 4637-1-59 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.382 COC(=O)C1=CC=CC=C1CCN 4758-1-11 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.589 CC(=O)NC1=C(C(C)=O)C=CC=C1 4648-1-4X [1,0,0,0,0,0|0,0,0]=1 6 B13R1.589 CC(=O)NC1=CC=CC=C1B(O)O 4H01-9-08 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.589 CC(=O)NC1=CC=CC=C1C(C)C 4748-1-11 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.589 CC(=O)NC1=CC=CN=C1[N+](=O)[O-] 4H56-1-579 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.589 CC(=O)NC1=CC=NC=C1[N+](=O)[O-] 4H56-1-580 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)O 2623-1-68 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.589 CC(=O)OC1=CC=CC=C1C(C)=O 2629-1-3B [1,0,0,0,0,0|1,0,0]=2 12 B13R1.589 CC(=O)OC1=CC=CC=C1[N+](=O)[O-] 4654-1-31 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.589 CC(C)OC1=CC=CC=C1C(=O)O 2621-1-1P [1,0,0,0,0,0|2,0,1]=4 14 B13R1.589 CC(C)SC1=CC=CC=C1C(=O)O 6666-1-0J [1,0,0,0,0,0|2,0,1]=4 15 B13R1.589 O=C(O)CC1=CC=CC=C1C(=O)O 2621-1-71 [1,0,0,0,0,0|2,0,0]=3 16 B15R1.810 CCOC(=O)C1=CC=CC=C1OC(C)=O 2623-1-15 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.925 COC(=O)C1=CC(Cl)=CC=C1NC(C)=O 4658-5-06 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.984 COC(=O)C1=CC=CC=C1C(N)C(=O)O 4658-1-6C [0,1,0,0,0,0|2,0,0]=3 19 B15R1.3847 COC(=O)CC1=CC=CC=C1C(=O)OC 2723-1-X9 [0,1,0,0,0,0|1,0,0]=2 20 B15R1.11372 COC(=O)C1=CC=CC=C1CS(N)(=O)=O 8669-1-25 [0,1,0,0,0,0|3,0,0]=4 21 B15R1.11372 COC(=O)C1=CC=CC=C1NS(C)(=O)=O 8669-1-1D [0,1,0,0,0,0|1,0,0]=2 22 B15R2.14628 O=C1CCC(C(=O)O)C2=CC=CC=C12 2629-1-0F [0,0,0,1,0,0|3,0,0]=4 23 B15R2.19309 COC(=O)C1=C2CC(=O)NC2=NC=C1 4H23-1-17 [0,0,0,1,0,0|3,0,0]=4 24 B15R2.19309 COC(=O)C1=C2N=C(Cl)SC2=CC=C1 7H70-5-1D [0,0,0,1,0,0|1,1,1]=4 25 B15R2.19309 COC(=O)C1=C2N=C(N)SC2=CC=C1 8H70-1-7R [0,0,0,1,0,0|1,1,1]=4 26 B15R2.19309 COC(=O)C1=C2OC(C)=NC2=CC=C1 4H23-1-7L [0,0,0,1,0,0|2,0,0]=3 27 B15R2.19309 COC(=O)C1=C2SC(N)=NC2=CC=C1 8H70-1-6J [0,0,0,1,0,0|3,0,0]=4 28 B15R2.19309 COC(=O)C1=CC=CC2=C1CC(=O)N2 4H58-1-E3 [0,0,0,1,0,0|2,0,0]=3 29 B15R2.19309 COC(=O)C1=CC=CC2=CN(C)N=C21 4H23-1-P8 [0,0,0,1,0,0|2,0,1]=4 30 B13R1.547 COC(=O)C1=C(N(C)C)C=CC=C1 4632-1-0E [0,0,0,0,1,0|2,0,0]=3 31 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)Cl 2623-5-47 [0,0,0,0,1,0|1,0,0]=2 32 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F 2723-3-0E [0,0,0,0,1,0|2,0,1]=4 33 B13R1.547 COC(=O)C1=CC=CC=C1[N+](=O)[O-] 4654-1-0L [0,0,0,0,1,0|2,0,0]=3 34 B13R1.547 COC(=O)C1=CC=NC=C1C(=O)O 4H58-1-GN [0,0,0,0,1,0|2,0,0]=3 35 B13R1.547 COC(=O)C1=NC=CC=C1C(=O)O 4H23-1-LN [0,0,0,0,1,0|2,0,0]=3 36 B13R1.547 COC(=O)C1=NC=CC=C1[N+](=O)[O-] 4H58-1-418 [0,0,0,0,1,0|3,0,0]=4 37 B13R1.547 O=C(O)C1=CC=CC=C1C(=O)CBr 2629-9-19 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.551 COC(=O)C1=CSC=C1OC(C)=O 6H66-1-69 [0,0,0,0,1,0|2,0,0]=3 39 B15R1.985 COC(=O)C1=C(NCC(=O)O)C=CC=C1 4H56-1-GR [0,0,0,0,0,1|1,0,0]=2 40 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 2923-1-0D [2,0,0,0,0,0|1,0,1]=4 41 B12R1.75 CC(=O)NC1=CC=CC=C1C#N 4648-1-4V [2,0,0,0,0,0|1,0,1]=4 42 B12R1.75 CC(=O)OC1=CC=CC=C1C=O 2623-1-94 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.75 CC(=O)OC1=CC=CC=C1CO 2623-1-95 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.75 CCC1=C(OC(C)=O)C=CC=C1 2723-1-1V [2,0,0,0,0,0|1,0,1]=4 45 B12R1.75 CCC1=CC=CC=C1NC(C)=O 4748-1-05 [2,0,0,0,0,0|0,0,1]=3 46 B12R1.75 COC1=CC=CC=C1CC(=O)Cl 2616-5-0Q [2,0,0,0,0,0|2,0,0]=4 47 B12R1.75 COC1=CC=CC=C1CC(C)=O 2617-1-18 [2,0,0,0,0,0|1,0,0]=3 48 B12R1.75 CSC1=CC=CC=C1NC(C)=O 8666-1-28 [2,0,0,0,0,0|0,1,0]=3 49 B12R1.77 C#CC1=CC=CC=C1C(=O)OC 2923-1-26 [2,0,0,0,0,0|0,0,2]=4 50 B12R1.77 C=CC1=CC=CC=C1C(=O)OC 2923-1-0E [2,0,0,0,0,0|0,0,1]=3 51 B12R1.77 CCC(=O)C1=C(OC)C=CC=C1 2617-1-0V [2,0,0,0,0,0|2,0,0]=4 52 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 2723-9-03 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.77 COC(=O)C1=CC=CC=C1C#N 4637-1-V0 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.77 COC(=O)C1=CC=CC=C1C=O 2623-1-Z4 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.77 COC(=O)C1=CC=CC=C1CCl 2623-5-0Y [2,0,0,0,0,0|1,0,1]=4 56 B12R1.77 COC(=O)C1=CC=CC=C1SC 6666-1-16 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.77 COC(=O)C1=CC=CN=C1C=O 4H58-1-GD [2,0,0,0,0,0|1,0,0]=3 58 B12R1.283 CC(=O)C1=CC=CC=C1NC=O 4648-1-62 [2,0,0,0,0,0|0,0,0]=2 59 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 6666-1-1P [2,0,0,0,0,0|1,0,1]=4 60 B14R1.814 CC(=O)NC1=CC=CC=C1NC(C)=O 4648-1-71 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.263 CCOC(=O)C1=CC=CC=C1OCC 2623-1-2Q [1,1,0,0,0,0|1,0,1]=4 62 B14R1.746 COC(=O)C1=CC=CC=C1C(=O)OC 2623-1-2J [1,1,0,0,0,0|2,0,0]=4 63 B14R1.789 COC(=O)C1=CC=CC=C1C#CCO 2929-1-16 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.3302 CCC(=O)OC1=CC=CC=C1C(=O)O 2623-1-4P [1,1,0,0,0,0|1,0,0]=3 65 B14R1.4894 CC(=O)NC1=C(F)C=CC=C1C(=O)O 4658-3-08 [1,1,0,0,0,0|0,0,0]=2 66 B14R1.4894 CC(=O)OC1=C(C)C=CC=C1C(=O)O 2723-1-35 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.4926 CC(=O)NC1=CC=CC(Br)=C1[N+](=O)[O-] 4654-9-32 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.4926 CC(=O)NC1=CC=CC(Cl)=C1C(=O)O 4H58-5-42 [1,1,0,0,0,0|0,0,0]=2 69 B14R1.4926 O=C(O)CC1=C(C(=O)O)C(F)=CC=C1 2621-3-5S [1,1,0,0,0,0|2,0,0]=4 70 B14R1.6074 CC(=O)NC1=CC=C(Br)C=C1C(=O)O 4658-9-06 [1,1,0,0,0,0|0,0,0]=2 71 B14R1.623 CCOC(=O)C1=C(N(C)C)C=CC=C1 4632-1-16 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(N)=C1 4655-1-07 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] 4654-5-82 [0,1,0,0,1,0|2,0,0]=4 74 B14R1.745 COC(=O)C1=CC=CC=C1S(N)(=O)=O 8669-1-44 [0,1,0,0,1,0|2,0,0]=4 75 B14R1.1126 COC(=O)C1=CC=C(Cl)C=C1[N+](=O)[O-] 4654-5-87 [0,1,0,0,1,0|2,0,0]=4 76 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(Cl)=CC=C1 4654-5-1V [0,1,0,0,1,0|2,0,0]=4 77 B14R1.1153 COC(=O)C1=CC=CC(Br)=C1[N+](=O)[O-] 4654-9-92 [0,1,0,0,1,0|2,0,0]=4 78 B14R1.1164 COC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-] 4654-5-1Y [0,1,0,0,1,0|2,0,0]=4 79 B14R1.1164 COC(=O)C1=C(F)C=CC=C1[N+](=O)[O-] 4654-3-8D [0,1,0,0,1,0|2,0,0]=4 80 B14R1.1164 COC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] 4658-1-4X [0,1,0,0,1,0|2,0,0]=4 81 B14R1.1164 COC(=O)C1=C(O)C=NC=C1C(=O)O 4H29-1-46 [0,1,0,0,1,0|2,0,0]=4 82 B14R1.3308 COC(=O)C1=C(NC(=O)CBr)C=CS1 8H58-9-X2 [0,1,0,0,1,0|1,0,0]=3 83 B14R1.3308 COC(=O)C1=C(NC(=O)CCl)C=CS1 8H58-5-09 [0,1,0,0,1,0|1,0,0]=3 84 B14R1.3308 COC(=O)C1=C(NC(=O)CCl)SC=C1 8H59-5-4H [0,1,0,0,1,0|1,0,0]=3 85 B16R1.1556 COC(=O)C1=CC=CC=C1NC(=O)CCCl 4658-5-15 [0,2,0,0,0,0|0,0,0]=2 86 B14R1.748 COC(=O)C1=CC=C(F)C(C(C)=O)=C1 2623-3-2N [0,0,1,1,0,0|2,0,0]=4 87 B14R2.642 CC(=O)N1C2=CC=CC=C2CC1C 4H48-1-7S [1,0,0,1,0,0|1,0,1]=4 88 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 2H25-1-46 [1,0,0,1,0,0|1,0,1]=4 89 B14R2.31359 CC(=O)N1CCCC2=CC=CC=C21 4H48-1-05B [1,0,0,1,0,0|1,0,1]=4 90 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 4H48-1-00K [1,0,0,1,0,0|1,0,0]=3 91 B14R2.287 O=C1CCC(=O)C2=NC=CC=C2N1 4H48-1-UJ [1,0,0,1,0,0|2,0,0]=4 92 B14R2.8188 CN1C(=O)CC2=CC=CC=C2C1=O 4H48-1-02K [1,0,0,1,0,0|2,0,0]=4 93 B14R2.10782 COC(=O)C1=C2C=CNC2=CC=C1 4H23-1-X7 [1,0,0,1,0,0|2,0,0]=4 94 B14R2.10782 COC(=O)C1=C2N=COC2=CC=C1 4H23-1-11 [1,0,0,1,0,0|0,0,2]=4 95 B14R2.10782 COC(=O)C1=C2NC=NC2=CC=C1 4H23-1-H7 [1,0,0,1,0,0|1,0,0]=3 96 B14R2.10782 COC(=O)C1=C2SC=NC2=CC=C1 8H23-1-01 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.10782 COC(=O)C1=CC=CC2=C1NCC2 4H23-1-GP [1,0,0,1,0,0|0,0,1]=3 98 B14R2.712 CC(=O)C1=C2OC(C)=NC2=CC=C1 4H17-1-6N [1,0,0,1,0,0|2,0,0]=4 99 B14R2.712 O=C1CC2=C(C=CC=C2C(=O)O)N1 4H48-1-053 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.712 O=C1CC2=CC=CC([N+](=O)[O-])=C2N1 4H54-1-52 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.8189 CC1(C)CC(=O)NC2=CC=CC=C21 4H48-1-08V [1,0,0,1,0,0|1,0,1]=4 102 B14R2.25733 CC(=O)N1C=C(O)C2=CC=CC=C21 4H48-1-0A9 [1,0,0,1,0,0|1,0,0]=3 103 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 4H18-1-00 [1,0,0,1,0,0|0,0,0]=2 104 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 2729-1-41 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.24350 NC(=O)C1=C2C(=O)NCC2=CC=C1 4H48-1-27 [0,0,0,1,1,0|2,0,0]=4 106 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 4H21-1-27 [0,0,0,1,1,0|2,0,0]=4 107 B16R2.33901 COC(=O)C1=CC=CC2=C1OCC(=O)N2 4H48-1-YS [0,0,0,1,0,1|2,0,0]=4 108 B16R2.518 CC(=O)NC1=CC=CC=C1C2=CC=CO2 4H48-1-3Q [0,1,0,1,0,0|1,0,1]=4 109 B16R2.128840 CN1CC(=O)NC2=C(C=C(Br)C=C2)C1=O 4H48-9-85 [0,1,0,1,0,0|1,0,0]=3 110 B16R2.128840 CN1CC(=O)NC2=CC=C(F)C=C2C1=O 4H18-3-02 [0,1,0,1,0,0|1,0,0]=3 111 B16R2.173205 COC(=O)C1=C2NC(=O)NC2=CC(Cl)=C1 4H53-5-0C [0,1,0,1,0,0|1,0,0]=3 112 B16R2.173205 COC(=O)C1=C2OC(C)=NC2=CC(Br)=C1 4H56-9-Y2 [0,1,0,1,0,0|2,0,0]=4 113 B16R2.1948 CCC1=NC2=CC=CC(C(=O)OC)=C2O1 4H58-1-HJ [0,1,0,1,0,0|2,0,0]=4 114 B16R2.33942 COC(=O)C1CCC(=O)C2=CC=CC=C21 2629-1-0D [0,1,0,1,0,0|2,0,0]=4 115 B12R1.291 COC(=O)C1=C(NC=O)C=CS1 8H58-1-62 [1,0,0,0,1,0|1,0,0]=3 116 B12R1.291 COC(=O)C1=CSC=C1NC=O 8H56-1-07 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O 2629-1-51 [1,0,0,0,1,0|0,0,0]=2 118 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O 2715-1-1C [1,0,0,0,1,0|1,0,1]=4 119 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O 4658-1-1F [1,0,0,0,1,0|2,0,0]=4 120 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6665-1-06 [1,0,0,0,1,0|1,0,0]=3 121 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O 2622-1-01 [1,0,0,0,1,0|1,0,0]=3 122 B12R1.392 CC(=O)NC1=C(C(=O)O)C=CS1 8H48-1-25 [1,0,0,0,1,0|1,0,0]=3 123 B12R1.392 CC(=O)NC1=C(C(=O)O)SC=C1 8H58-1-Y1 [1,0,0,0,1,0|1,0,0]=3 124 B14R1.4522 CC(=O)C1=C(OCC(=O)O)C=CC=C1 2621-1-3L [1,0,0,0,0,1|2,0,0]=4 125 B14R1.4522 O=C(O)CCC1=CC=CC=C1C(=O)O 2621-1-0A [1,0,0,0,0,1|2,0,0]=4 126 B14R1.4522 O=C(O)CNC1=CC=CC=C1C(=O)O 4H58-1-306 [1,0,0,0,0,1|1,0,0]=3 127 B14R1.4522 O=C(O)COC1=CC=CC=C1C(=O)O 2621-1-X3 [1,0,0,0,0,1|2,0,0]=4 128 B14R1.4522 O=C(O)CSC1=CC=CC=C1C(=O)O 6666-1-11 [1,0,0,0,0,1|2,0,0]=4 129 B14R1.733 CC(=O)NC1=CC=CC(C(=O)C=O)=C1 4648-1-32 [0,0,0,0,1,1|2,0,0]=4 130 B14R1.733 CC(=O)NC1=CC=CC(C(=O)CBr)=C1 4656-9-51 [0,0,0,0,1,1|2,0,0]=4 131 B14R1.733 COC(=O)C1=CC=CC(OC(C)=O)=C1 2623-1-2S [0,0,0,0,1,1|1,0,0]=3