0 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,0,0,0,0,0|0,0,0]=0 2 B11R1.40 CNC(=O)OC1=CC=CC=C1 4656-1-7R [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 O=C(O)C#CC1=CC=CC=N1 4H58-1-470 [1,0,0,0,0,0|1,0,2]=4 9 B11R1.91 O=C(O)C#CC1=CC=CN=C1 4H58-1-471 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 4648-5-0F [0,1,0,0,0,0|2,0,0]=3 11 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.133 CN(O)C(=O)NC1=CC=C(Cl)C=C1 4653-5-00 [0,1,0,0,0,0|3,0,0]=4 13 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [0,1,0,0,0,0|0,0,2]=3 15 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [0,1,0,0,0,0|0,0,2]=3 16 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [0,1,0,0,0,0|0,0,2]=3 17 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [0,1,0,0,0,0|0,0,2]=3 18 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,1,0,0,0,0|1,0,1]=3 19 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,1,0,0,0,0|1,0,1]=3 20 B13R1.148 CN(O)C(=O)NC1=CC(Cl)=CC=C1 4653-5-08 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 2629-3-0G [0,1,0,0,0,0|0,0,2]=3 22 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 2629-3-SG [0,1,0,0,0,0|0,0,2]=3 23 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(Br)=C1 2629-9-R3 [0,1,0,0,0,0|0,0,2]=3 24 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 2621-1-0N [0,1,0,0,0,0|2,0,1]=4 26 B13R2.369 CC1=NC2=CC=CC=C2C=C1O 4H01-1-8A [0,0,0,1,0,0|3,0,0]=4 27 B13R2.369 CN1CC2=CC=CC=C2OC1=O 4H56-1-06E [0,0,0,1,0,0|2,0,0]=3 28 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O 4H30-5-0G [0,0,0,1,0,0|2,0,1]=4 29 B13R2.369 OC1=NC2=CC=CC=C2C=C1Cl 4H01-5-2R [0,0,0,1,0,0|2,0,1]=4 30 B13R2.369 OC1=NC2=CC=CC=C2N=C1F 4H01-3-1C [0,0,0,1,0,0|3,0,0]=4 31 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,0,0,1,0,0|2,0,1]=4 32 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 4H48-1-03A [0,0,0,1,0,0|1,0,2]=4 33 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 4H21-1-75 [0,0,0,1,0,0|1,0,2]=4 34 B13R2.435 O=C(O)C1=NC2=CC=NC=C2S1 8H21-1-83 [0,0,0,1,0,0|2,1,0]=4 35 B11R1.36 FC(F)=C(Br)C1=CC=CC=C1 1900-B-03 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [0,0,0,0,1,0|2,0,1]=4 37 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [0,0,0,0,1,0|1,0,2]=4 38 B13R1.348 CC(=O)CC(=O)NC1=NC=CC=C1 4H48-1-02F [0,0,0,0,0,1|3,0,0]=4 39 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 2623-1-3L [1,1,0,0,0,0|2,0,0]=4 41 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 2623-1-R0 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [1,1,0,0,0,0|1,0,1]=4 43 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [1,1,0,0,0,0|2,0,0]=4 44 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [1,1,0,0,0,0|2,0,0]=4 45 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [1,1,0,0,0,0|2,0,0]=4 46 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [1,1,0,0,0,0|2,0,0]=4 47 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [1,1,0,0,0,0|0,0,1]=3 48 B12R1.21 O=C(O)\C=C\C1=CN=C(Cl)C=C1 4H21-5-2Q [1,1,0,0,0,0|1,0,1]=4 49 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 4H23-1-J0 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [1,1,0,0,0,0|1,0,1]=4 52 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [1,1,0,0,0,0|2,0,0]=4 53 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [1,1,0,0,0,0|1,0,1]=4 55 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl 2916-5-01 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [1,1,0,0,0,0|2,0,0]=4 57 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [1,1,0,0,0,0|2,0,0]=4 60 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2629-9-S0 [0,1,0,0,1,0|0,0,2]=4 62 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 2629-5-S4 [0,1,0,0,1,0|0,0,2]=4 63 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 2629-9-R0 [0,1,0,0,1,0|0,0,2]=4 64 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 4657-5-39 [0,1,0,0,1,0|1,0,1]=4 65 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 4657-1-S3 [0,1,0,0,1,0|1,0,1]=4 66 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 4657-1-R3 [0,1,0,0,1,0|1,0,1]=4 67 B14R1.337 CC(=O)CC(=O)NC1=C(Cl)C=CC=C1 4648-5-0L [0,1,0,0,0,1|2,0,0]=4 68 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 69 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 4658-1-3V [0,1,0,0,0,1|1,0,1]=4 70 B14R1.5978 CC(=O)CC(=O)NC1=CC(F)=CC=C1 4648-3-1P [0,1,0,0,0,1|2,0,0]=4 71 B14R1.415 O=C(O)C(=O)CC(=O)C1=CN=CC=C1 4H29-1-42 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.756 COC(=O)[C@@H](N)CCC1=CC=CC=C1 4658-1-S1L [0,1,0,0,0,1|1,0,1]=4 73 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 2629-5-0B [0,1,0,0,0,1|0,0,1]=3 74 B14R1.134 COC(=O)C(Br)CC1=CC=C(F)C=C1 2723-B-06 [0,2,0,0,0,0|1,0,1]=4 75 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 4658-3-SC [0,2,0,0,0,0|1,0,1]=4 76 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 4H58-9-R1 [0,2,0,0,0,0|1,0,1]=4 77 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R1 [0,2,0,0,0,0|0,0,2]=4 78 B14R1.536 N#CC(CC1=CC=C(O)C=C1)C(=O)O 4637-1-80 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.1007 COC(=O)[C@@H](N)CC1=C(C)C=CC=C1 4758-1-S0 [0,2,0,0,0,0|1,0,1]=4 80 B14R1.153 N[C@H](CC1=CC=CC(F)=C1F)C(=O)O 4657-3-R5 [0,2,0,0,0,0|1,0,1]=4 81 B12R2.32 O=CC1=NC2=CC=CC=C2O1 4H15-1-1Y [1,0,0,1,0,0|1,0,1]=4 82 B14R2.738 O=C1CC(=O)NC2=C(C=CC=C2)N1 4H48-1-02P [0,0,0,1,0,1|2,0,0]=4 83 B14R2.781 NC(=O)C1=CC2=CC=CC=C2OC1 4H48-1-039 [0,0,0,1,0,1|2,0,0]=4 84 B14R2.781 O=C(O)C1CC2=CC=CC=C2CO1 2H21-1-0U [0,0,0,1,0,1|1,0,1]=4 85 B14R2.9535 NC1(C(=O)O)CCC2=CC=CC=C21 4657-1-74 [0,0,0,1,0,1|1,0,1]=4 86 B14R2.4402 CC1=CC=C(C2OC2C(=O)O)C=C1 2721-1-2N [0,1,0,1,0,0|0,0,2]=4 87 B14R2.4402 O=C(O)C1OC1C2=CC=C(Cl)C=C2 2621-5-0D [0,1,0,1,0,0|0,0,2]=4 88 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 2H21-1-0P [0,1,0,1,0,0|0,0,2]=4 89 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2O1 4H58-9-5R [0,1,0,1,0,0|1,0,1]=4 90 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2O1 4H21-3-85 [0,1,0,1,0,0|1,0,1]=4 91 B14R2.4529 O=C(O)C1=NC2=CC=C(F)C=C2O1 4H21-3-86 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 4H23-1-DR [0,1,0,1,0,0|1,0,1]=4 93 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 2623-1-4S [0,1,0,1,0,0|1,0,1]=4 94 B14R2.972 COC(=O)[C@H]1CC2=C(C=CC=C2)N1 4H23-1-R6 [0,1,0,1,0,0|1,0,1]=4 95 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC=CC(Br)=C2 2621-9-R0 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC(Br)=CC=C2 2621-9-66 [0,1,0,1,0,0|1,0,1]=4 97 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 4H29-1-3H [0,1,0,1,0,0|1,0,1]=4 98 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 2721-1-3E [0,1,0,1,0,0|1,0,0]=3 99 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 2621-3-3P [0,1,0,1,0,0|1,0,1]=4 100 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [1,0,0,0,1,0|1,0,0]=3 101 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [1,0,0,0,1,0|1,0,1]=4 102 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [1,0,0,0,1,0|1,0,1]=4 103 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [1,0,0,0,0,1|1,0,1]=4 104 B14R1.423 O=C(O)CNC(=O)OC1=CC=CC=C1 4656-1-A4 [0,0,0,0,0,2|1,0,0]=3