0 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,0,0,0,0,0|1,0,1]=2 2 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [1,0,0,0,0,0|2,0,0]=3 3 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 O=C(O)C#CC1=CC=CC=N1 4H58-1-470 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 O=C(O)C#CC1=CC=CN=C1 4H58-1-471 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.133 CC(=O)C(C)OC1=CC=C(C)C=C1 2717-1-0H [0,1,0,0,0,0|3,0,0]=4 10 B13R1.133 CC(=O)C(C)OC1=CC=C(Cl)C=C1 2617-5-0G [0,1,0,0,0,0|3,0,0]=4 11 B13R1.133 CC(=O)C(C)OC1=CC=C(F)C=C1 2617-3-0L [0,1,0,0,0,0|3,0,0]=4 12 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,1,0,0,0,0|0,0,0]=1 14 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,1,0,0,0,0|0,0,0]=1 19 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,1,0,0,0,0|1,0,2]=4 20 B13R1.148 CC(=O)C(C)OC1=CC(C)=CC=C1 2717-1-0J [0,1,0,0,0,0|3,0,0]=4 21 B13R1.148 CC(=O)C(C)OC1=CC(Cl)=CC=C1 2617-5-0H [0,1,0,0,0,0|3,0,0]=4 22 B13R1.148 CC(=O)C(C)OC1=CC(F)=CC=C1 2617-3-0M [0,1,0,0,0,0|3,0,0]=4 23 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 2629-3-0G [0,1,0,0,0,0|1,0,0]=2 24 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 2629-3-SG [0,1,0,0,0,0|1,0,0]=2 25 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(Br)=C1 2629-9-R3 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.202 CC(=O)C(C)OC1=C(Cl)C=CC=C1 2617-5-0J [0,1,0,0,0,0|3,0,0]=4 27 B13R1.202 CC(=O)C(C)OC1=C(F)C=CC=C1 2617-3-0N [0,1,0,0,0,0|3,0,0]=4 28 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 2621-1-0N [0,1,0,0,0,0|2,0,0]=3 30 B13R2.369 CN1CC2=CC=CC=C2OC1=O 4H56-1-06E [0,0,0,1,0,0|2,0,0]=3 31 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O 4H30-5-0G [0,0,0,1,0,0|1,0,0]=2 32 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,0,0,1,0,0|1,0,2]=4 33 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 4H48-1-03A [0,0,0,1,0,0|2,0,0]=3 34 B11R1.35 NC(CN1C=CC=N1)C(=O)O 4H57-1-0D [0,0,0,0,1,0|2,0,0]=3 35 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [0,0,0,0,1,0|1,0,0]=2 36 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [0,0,0,0,1,0|2,0,0]=3 37 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 3632-5-S0 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4656-3-R6 [1,1,0,0,0,0|0,0,1]=3 40 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 4656-3-S6 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 4656-3-CA [1,1,0,0,0,0|0,0,1]=3 42 B12R1.118 N#CC(CO)CC1=CC=CC=C1 4637-1-77 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl 4656-5-S5 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F 4656-3-S9 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [1,1,0,0,0,0|1,0,0]=3 46 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [1,1,0,0,0,0|2,0,0]=4 47 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [1,1,0,0,0,0|2,0,0]=4 48 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [1,1,0,0,0,0|2,0,0]=4 49 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [1,1,0,0,0,0|2,0,0]=4 50 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 2602-9-00 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [1,1,0,0,0,0|0,0,0]=2 52 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [1,1,0,0,0,0|2,0,0]=4 54 B12R1.107 CN(CC(=O)O)C1=CC=CC=N1 4H58-1-396 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 4654-1-V5 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [1,1,0,0,0,0|1,0,0]=3 58 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [1,1,0,0,0,0|2,0,0]=4 59 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [1,1,0,0,0,0|2,0,0]=4 62 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.104 CN1C=NC(C[C@@H](N)C(=O)O)=C1 4H57-1-RD [0,1,0,0,1,0|2,0,0]=4 64 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 4H58-1-S0K [0,1,0,0,1,0|1,0,0]=3 65 B12R1.145 CN1C=NC=C1C[C@@H](N)C(=O)O 4H57-1-RE [0,1,0,0,1,0|2,0,0]=4 66 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2629-9-S0 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 2629-5-S4 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 2629-9-R0 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 4657-5-39 [0,1,0,0,1,0|0,0,0]=2 70 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 4657-1-S3 [0,1,0,0,1,0|0,0,0]=2 71 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 4657-1-R3 [0,1,0,0,1,0|0,0,0]=2 72 B14R1.698 CN(CC(=O)O)CC1=CC=C(Br)C=C1 4658-9-23 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 4658-1-3V [0,1,0,0,0,1|0,0,0]=2 74 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-S0P [0,1,0,0,0,1|1,0,1]=4 75 B14R1.756 COC(=O)[C@@H](N)CCC1=CC=CC=C1 4658-1-S1L [0,1,0,0,0,1|0,0,0]=2 76 B14R1.134 COC(=O)C(Br)CC1=CC=C(F)C=C1 2723-B-06 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.134 COC(=O)C(C)OC1=CC=C(O)C=C1 2623-1-0Z [0,2,0,0,0,0|2,0,0]=4 78 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 4658-3-SC [0,2,0,0,0,0|0,0,0]=2 79 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 4H58-9-R1 [0,2,0,0,0,0|0,0,0]=2 80 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R1 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.536 N#CC(CC1=CC=C(O)C=C1)C(=O)O 4637-1-80 [0,2,0,0,0,0|0,0,1]=3 82 B14R1.85 COC(=O)C(C)C(=O)C1=CC=CC=C1 2629-1-1M [0,2,0,0,0,0|1,0,1]=4 83 B14R1.1007 COC(=O)[C@@H](N)CC1=C(C)C=CC=C1 4758-1-S0 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.153 N[C@H](CC1=CC=CC(F)=C1F)C(=O)O 4657-3-R5 [0,2,0,0,0,0|0,0,0]=2 85 B14R1.4404 CC(C)(OC1=CC=CC(Cl)=C1)C(=O)O 2621-5-0N [0,2,0,0,0,0|2,0,0]=4 86 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O 4656-5-1H [1,0,0,1,0,0|0,0,1]=3 87 B12R2.32 OCC1CC2=CC=CC=C2O1 2H10-1-Y0 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.32 OC[C@H]1CC2=CC=CC=C2N1 4H56-1-R09 [1,0,0,1,0,0|0,0,1]=3 89 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 2617-1-0G [0,0,0,1,0,1|2,0,0]=4 90 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 2H21-1-0U [0,0,0,1,0,1|1,0,0]=3 91 B14R2.9535 NC1(C(=O)O)CCC2=CC=CC=C21 4657-1-74 [0,0,0,1,0,1|0,0,0]=2 92 B14R2.4402 CC(=O)C1CC1C2=CC=C(Cl)C=C2 2617-5-0L [0,1,0,1,0,0|2,0,0]=4 93 B14R2.4402 CC(=O)C1CC1C2=CC=C(F)C=C2 2617-3-0Q [0,1,0,1,0,0|2,0,0]=4 94 B14R2.4402 CC1=CC=C(C2OC2C(=O)O)C=C1 2721-1-2N [0,1,0,1,0,0|1,0,0]=3 95 B14R2.4402 O=C(O)C1OC1C2=CC=C(Cl)C=C2 2621-5-0D [0,1,0,1,0,0|1,0,0]=3 96 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 2623-1-4S [0,1,0,1,0,0|1,0,0]=3 97 B14R2.972 COC(=O)[C@H]1CC2=C(C=CC=C2)N1 4H23-1-R6 [0,1,0,1,0,0|0,0,0]=2 98 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC=CC(Br)=C2 2621-9-R0 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC(Br)=CC=C2 2621-9-66 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 4H29-1-3H [0,1,0,1,0,0|0,0,2]=4 101 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 2721-1-3E [0,1,0,1,0,0|1,0,1]=4 102 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 2621-3-3P [0,1,0,1,0,0|1,0,0]=3 103 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [1,0,0,0,1,0|1,0,0]=3 104 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [1,0,0,0,1,0|1,0,0]=3 105 B10R1.23 NC(C(=O)O)C1=CSC=C1 8H66-5-4C [0,0,0,0,2,0|1,0,0]=3 106 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8664-1-28 [1,0,0,0,0,1|2,0,0]=4 107 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [1,0,0,0,0,1|1,0,0]=3