0 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,0,0,0,0,0|2,0,1]=3 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 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,0,0,0,0|2,0,1]=4 4 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 5 B13R1.133 CC(=O)C(C)OC1=CC=C(C)C=C1 2717-1-0H [0,1,0,0,0,0|1,0,1]=3 6 B13R1.133 CC(=O)C(C)OC1=CC=C(Cl)C=C1 2617-5-0G [0,1,0,0,0,0|1,0,1]=3 7 B13R1.133 CC(=O)C(C)OC1=CC=C(F)C=C1 2617-3-0L [0,1,0,0,0,0|1,0,1]=3 8 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,1,0,0,0,0|1,0,2]=4 10 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,1,0,0,0,0|0,0,0]=1 11 B13R1.148 CC(=O)C(C)OC1=CC(C)=CC=C1 2717-1-0J [0,1,0,0,0,0|1,0,1]=3 12 B13R1.148 CC(=O)C(C)OC1=CC(Cl)=CC=C1 2617-5-0H [0,1,0,0,0,0|1,0,1]=3 13 B13R1.148 CC(=O)C(C)OC1=CC(F)=CC=C1 2617-3-0M [0,1,0,0,0,0|1,0,1]=3 14 B13R1.202 CC(=O)C(C)OC1=C(Cl)C=CC=C1 2617-5-0J [0,1,0,0,0,0|1,0,1]=3 15 B13R1.202 CC(=O)C(C)OC1=C(F)C=CC=C1 2617-3-0N [0,1,0,0,0,0|1,0,1]=3 16 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 2621-1-0N [0,1,0,0,0,0|2,0,1]=4 18 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br 1600-9-14 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br 3H32-9-71 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 3H30-1-CE [0,0,0,1,0,0|2,0,0]=3 21 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 3H30-5-2G [0,0,0,1,0,0|2,0,0]=3 22 B13R2.369 CC1=NC2=CC=CC=C2C=C1O 4H01-1-8A [0,0,0,1,0,0|2,0,0]=3 23 B13R2.369 CN1CC2=CC=CC=C2OC1=O 4H56-1-06E [0,0,0,1,0,0|2,0,1]=4 24 B13R2.369 ClC1=NC2=CC=CC=C2C=C1I 3H32-M-05 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.369 OC1=NC2=CC=CC=C2C=C1Cl 4H01-5-2R [0,0,0,1,0,0|2,0,1]=4 26 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,0,0,1,0,0|1,0,0]=2 27 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 4H48-1-03A [0,0,0,1,0,0|2,0,1]=4 28 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 4H21-1-75 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.36 FC(F)=C(Br)C1=CC=CC=C1 1900-B-03 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [0,0,0,0,1,0|2,0,1]=4 31 B13R1.348 CC(=O)CC(=O)NC1=NC=CC=C1 4H48-1-02F [0,0,0,0,0,1|3,0,0]=4 32 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 2623-1-3M [1,1,0,0,0,0|2,0,0]=4 33 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [1,1,0,0,0,0|0,0,2]=4 34 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [1,1,0,0,0,0|1,0,1]=4 35 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [1,1,0,0,0,0|1,0,1]=4 36 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [1,1,0,0,0,0|1,0,1]=4 37 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [1,1,0,0,0,0|1,0,1]=4 38 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 2602-9-03 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.21 O=C(O)\C=C\C1=CN=C(Cl)C=C1 4H21-5-2Q [1,1,0,0,0,0|2,0,0]=4 40 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 4H23-1-J0 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 4H23-1-28 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [1,1,0,0,0,0|1,0,0]=3 43 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [1,1,0,0,0,0|1,0,1]=4 44 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 4636-1-Z8 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl 2916-5-01 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [1,1,0,0,0,0|1,0,1]=4 48 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(O)=C1 4654-1-B5 [1,1,0,0,0,0|2,0,0]=4 50 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 51 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 52 B12R1.478 CC(=O)\C(=N/O)C1=CC=CC=N1 4H47-1-52 [0,1,0,0,1,0|2,0,0]=4 53 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 54 B14R1.5978 CC(=O)CC(=O)NC1=CC(F)=CC=C1 4648-3-1P [0,1,0,0,0,1|2,0,0]=4 55 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 56 B14R1.5956 O=C(O)C(=O)\C=C\C1=CC=CC(Cl)=C1 2629-5-0B [0,1,0,0,0,1|2,0,0]=4 57 B14R1.3 COC1=CC=C(OC(C)C(C)=O)C=C1 2617-1-0J [0,2,0,0,0,0|1,0,1]=4 58 B14R1.134 COC(=O)C(C)OC1=CC=C(O)C=C1 2623-1-0Z [0,2,0,0,0,0|1,0,1]=4 59 B14R1.6049 CC(=O)C(C)OC1=C(F)C=C(F)C=C1 2617-3-0P [0,2,0,0,0,0|1,0,1]=4 60 B14R1.85 COC(=O)C(C)C(=O)C1=CC=CC=C1 2629-1-1M [0,2,0,0,0,0|0,0,1]=3 61 B14R1.75 COC1=CC=CC(OC(C)C(C)=O)=C1 2617-1-0K [0,2,0,0,0,0|1,0,1]=4 62 B14R1.4257 CC(=O)C(C)OC1=CC(C)=CC(C)=C1 2717-1-0K [0,2,0,0,0,0|1,0,1]=4 63 B14R1.5971 CC(=O)C(C)OC1=C(C)C=CC=C1C 2717-1-0L [0,2,0,0,0,0|1,0,1]=4 64 B12R2.18 CC1=C(C)C2=CC=CN=C2N1 3H32-1-KD [1,0,0,1,0,0|2,0,0]=4 65 B12R2.18 CC1=C(N)SC2=CC=CC=C21 8H30-5-00 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.32 O=CC1=NC2=CC=CC=C2O1 4H15-1-1Y [1,0,0,1,0,0|2,0,0]=4 67 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 4H48-1-02T [0,0,0,1,0,1|1,0,1]=4 68 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 2617-1-0G [0,0,0,1,0,1|0,0,2]=4 69 B14R2.260 CC1=C(C)SC(C2=CC=CC=C2)=N1 8H70-1-8V [0,0,0,1,0,1|0,1,0]=3 70 B14R2.741 CN1N=CC2=CC=CC=C2CC1=O 4H48-1-00M [0,0,0,1,0,1|1,0,0]=3 71 B14R2.4402 CC(=O)C1CC1C2=CC=C(Cl)C=C2 2617-5-0L [0,1,0,1,0,0|0,0,2]=4 72 B14R2.4402 CC(=O)C1CC1C2=CC=C(F)C=C2 2617-3-0Q [0,1,0,1,0,0|0,0,2]=4 73 B14R2.4529 CC(=O)C1=CC2=CC(F)=CC=C2N1 4H56-3-4Z [0,1,0,1,0,0|1,0,0]=3 74 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 2H21-1-0P [0,1,0,1,0,0|2,0,0]=4 75 B14R2.4529 CC1=CC=C2OC(C(N)=O)=CC2=C1 4H48-1-03C [0,1,0,1,0,0|2,0,0]=4 76 B14R2.8239 CC1=CC2=CC(Br)=CC=C2N=C1N 3H30-9-34 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.8239 CC1=NC2=CC(Cl)=CC=C2C=C1N 3H30-5-2J [0,1,0,1,0,0|2,0,0]=4 78 B14R2.972 COC(=O)C1=CN2C=CC=CC2=N1 4H23-1-J6 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 4H23-1-DR [0,1,0,1,0,0|2,0,0]=4 80 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 4H23-1-DN [0,1,0,1,0,0|2,0,0]=4 81 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 2623-1-4S [0,1,0,1,0,0|0,0,2]=4 82 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 83 B14R2.1128 COC1=CC2=NC=CC=C2C=C1C 5H07-1-00 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.1128 COC1=NC2=CC=CC=C2C=C1O 4H07-1-5R [0,1,0,1,0,0|2,0,0]=4 85 B14R2.1128 N#CC1=CC2=CC=CC=C2NC1=O 4H37-1-Z7 [0,1,0,1,0,0|1,0,1]=4 86 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1I 4H01-H-0A [0,1,0,1,0,0|2,0,0]=4 87 B14R2.8188 CC1=NC2=CC=CC=C2C(Br)=C1Cl 3H32-D-0J [0,1,0,1,0,0|2,0,0]=4 88 B14R2.8188 CC1=NC2=CC=CC=C2C(Cl)=C1Br 3H32-D-0E [0,1,0,1,0,0|2,0,0]=4 89 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1Br 4H01-9-0F [0,1,0,1,0,0|2,0,0]=4 90 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1I 4H01-H-09 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O 4H53-1-1U [0,1,0,1,0,0|2,0,0]=4 92 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 4H29-1-3H [0,1,0,1,0,0|2,0,0]=4 93 B14R2.28472 CC1=CC2=NC=CC(N)=C2C=C1C 3H30-1-CR [0,1,0,1,0,0|2,0,0]=4 94 B14R2.28472 O=C1NC2=C(Br)C=CC=C2C=C1F 4H48-B-0T [0,1,0,1,0,0|2,0,0]=4 95 B14R2.450 CC(=O)C1=C(Br)C2=CC=CC=C2O1 2H17-9-0E [0,1,0,1,0,0|1,0,0]=3 96 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 4H56-1-467 [0,1,0,1,0,0|1,0,0]=3 97 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 2721-1-3E [0,1,0,1,0,0|1,0,0]=3 98 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [1,0,0,0,1,0|1,0,1]=4 99 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [1,0,0,0,1,0|0,0,1]=3 100 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [1,0,0,0,1,0|0,0,1]=3