0 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [1,0,0,0,0,0|0,0,1]=2 11 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [1,0,0,0,0,0|0,0,1]=2 16 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.351 O=C([O-])C(=O)CCC1=CC=CC=C1 32408 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.417 BrCC(CBr)OCC1=CC=CC=C1 C10580 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.32 O[C@@H]1C2=C(C=CC=C2)CC[C@H]1Br V10227 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,0,0,0,1,0|1,0,2]=4 24 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,0,0,0,1,0|2,0,1]=4 25 B11R1.40 O=CC(Cl)=CC1=CC=CC=C1 D94582 [0,0,0,0,1,0|1,0,2]=4 26 B10R0.71 C=C\C=C\C=C\CCCCC D92769 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [2,0,0,0,0,0|0,0,1]=3 28 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [2,0,0,0,0,0|0,0,2]=4 29 B10R1.17 COCCC1=NC=CC=C1 D91306 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.1 O=C=NCCC1=CC=C(F)C=C1 A12731 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.1 OCCCCC1=CC=C(Br)C=C1 F13982 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.8 CCCCOCC1=CC=CC=C1 D88615 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.8 CNCCOCC1=CC=CC=C1 C78388 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.8 ClCCCOCC1=CC=CC=C1 20539 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D89432 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D92069 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.252 CC(=O)CSCC1=CC=CC=C1 D85829 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.252 O=C(O)CCCC1=CC=NC=C1 C16278 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.252 O=C(O)CSCC1=CC=CC=C1 52680 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 F53163 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.21 CC1=CC=C(OC[C@H](C)O)C=C1 D91440 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.107 CC(C)C[C@H](N)C1=CC=CN=C1 F30605 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L10160 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.125 CC1=C(OC[C@H](C)O)C=CC=C1 D91438 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 C78150 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.292 CC(C)(CO)COCC1=CC=CC=C1 91940 [0,1,0,0,0,1|0,0,2]=4 58 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O FD21045 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O 78198 [0,2,0,0,0,0|1,0,0]=3 60 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62360 [0,2,0,0,0,0|1,0,0]=3 61 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 46125 [0,2,0,0,0,0|1,0,0]=3 62 B14R2.8 OC[C@H]1CCN(C2=CC=CC=C2)C1 AC7500 [0,0,0,1,0,1|0,0,2]=4 63 B14R2.598 N[C@H]1CC(=O)N(C2=CC=CC=C2)C1 AT23599 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.8188 CN1C(=O)CC2=C(C=CC=C2)C1=O 83371 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.781 O=C(O)[C@@H]1CNC2=C(C=CC=C2)O1 77316 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [1,0,0,0,1,0|1,0,0]=3 67 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [1,0,0,0,1,0|2,0,0]=4 68 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [0,0,0,0,2,0|2,0,0]=4 70 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [0,0,0,0,2,0|1,0,1]=4 71 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [0,0,0,0,2,0|1,0,1]=4 72 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [0,0,0,0,2,0|0,0,2]=4 73 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [0,0,0,0,2,0|0,0,2]=4