0 B13R1.351 C[C@@H](N)C(=O)OCC1=CC=CC=C1 12308 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 12863 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 18931 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 36205 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 18755 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [1,0,0,0,0,0|0,0,2]=3 6 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,0,0,0,0,0|1,0,2]=4 17 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 19043 [0,1,0,0,0,0|1,0,0]=2 18 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 34994 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@@H]2CN2 12053 [0,0,0,1,0,0|1,0,0]=2 20 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@H]2CN2 12052 [0,0,0,1,0,0|1,0,0]=2 21 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 25653 [0,0,0,0,0,1|1,0,1]=3 22 B11R1.28 CCCCCC1=CC=CC=C1 16788 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.28 OCCOCC1=CC=CC=C1 1939 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [2,0,0,0,0,0|2,0,0]=4 33 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.15 COC(=O)CCC1=CC(Br)=CC=C1 28883 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 20207 [1,1,0,0,0,0|0,0,2]=4 38 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 12070 [1,1,0,0,0,0|0,0,0]=2 42 B13R1.135 COC(=O)C(O)Cc1ccccc1 23902 [1,1,0,0,0,0|2,0,0]=4 43 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 10882 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 6055 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 10883 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 14742 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.135 N[C@H](Cc1ccccc1)C(=O)CCl 11515 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 28882 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.148 CN(C)C(=O)OC1=CC(N)=CC=C1 34287 [0,1,0,0,1,0|1,0,0]=3 50 B13R1.148 CN(C)C(=O)OC1=CC=C[N+](C)=C1 15395 [0,1,0,0,1,0|2,0,0]=4 51 B13R1.353 CC(C)(C)C(=O)NC1=CC=CN=C1 26854 [0,1,0,0,1,0|2,0,0]=4 52 B13R1.353 CC(C)(C)C(=O)NC1=CC=NC=C1 26855 [0,1,0,0,1,0|2,0,0]=4 53 B13R1.353 CC(C)(C)C(=O)NC1=NC=CC=C1 26853 [0,1,0,0,1,0|2,0,0]=4 54 B15R1.741 C[C@@H](CBr)NC(=O)OCC1=CC=CC=C1 22132 [0,1,0,0,0,1|0,0,0]=2 55 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 12188 [0,1,0,0,0,1|0,0,0]=2 56 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 6265 [0,1,0,0,0,1|0,0,0]=2 57 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 13016 [0,1,0,0,0,1|0,0,0]=2 58 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 13014 [0,1,0,0,0,1|1,0,0]=3 59 B15R1.5336 CN(C)\C=C(/C=O)OCC1=CC=CC=C1 21569 [0,1,0,0,0,1|1,0,0]=3 60 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 24247 [0,1,0,0,0,1|1,0,1]=4 61 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [1,0,0,1,0,0|2,0,0]=4 62 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [1,0,0,1,0,0|2,0,0]=4 63 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 27598 [1,0,0,1,0,0|1,0,0]=3 64 B13R2.373 O=C1NC(C2=CC=CC=C2)C1O 24548 [1,0,0,1,0,0|2,0,0]=4 65 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@@H]1O 24545 [1,0,0,1,0,0|2,0,0]=4 66 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O 24544 [1,0,0,1,0,0|2,0,0]=4 67 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@@H]1O 24546 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.373 O=C1N[C@H](C2=CC=CC=C2)[C@H]1O 24547 [1,0,0,1,0,0|2,0,0]=4 69 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 22384 [1,0,0,1,0,0|1,0,1]=4 70 B13R2.2382 c1ccc(COC[C@@H]2CO2)cc1 5855 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.2382 c1ccc(COC[C@H]2CO2)cc1 5849 [1,0,0,1,0,0|1,0,1]=4 72 B13R2.359 CC1=NC2=CC=CC=C2C1(C)C 7445 [0,0,0,1,1,0|2,0,0]=4 73 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [0,0,0,1,1,0|2,0,0]=4 74 B13R2.435 CC(C)C1=CC2=CC=CC=C2C1 35010 [0,0,0,1,1,0|1,0,0]=3 75 B15R2.325 O=C1C[C@H](O)CN1CC2=CC=CC=C2 22243 [0,0,0,1,0,1|2,0,0]=4 76 B15R2.327 CC1(C)OC(=O)N[C@H]1C2=CC=CC=C2 18190 [0,0,0,1,0,1|1,0,0]=3 77 B15R2.13159 CC1(C)CN(C2=CC=CC=C2)NC1=O 16735 [0,1,0,1,0,0|2,0,0]=4 78 B15R2.321 C[C@H]1[C@H](C2=CC=CC=C2)OC(=O)N1C 36216 [0,1,0,1,0,0|1,0,0]=3 79 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [1,0,0,0,1,0|1,0,0]=3 80 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [1,0,0,0,1,0|1,0,0]=3 81 B11R1.40 COC(=O)CC1=CC=CN=C1 13725 [1,0,0,0,1,0|2,0,0]=4 82 B11R1.40 COC(=O)CC1=CC=NC=C1 18851 [1,0,0,0,1,0|2,0,0]=4 83 B11R1.40 COC(=O)CC1=NC=CC=C1 17624 [1,0,0,0,1,0|2,0,0]=4 84 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [1,0,0,0,1,0|2,0,0]=4 85 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,0,0,0,2,0|1,0,0]=3 86 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,0,0,0,2,0|1,0,0]=3 87 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,0,0,0,2,0|2,0,0]=4