0 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.17 CNCCC1=NC=CC=C1 D01592 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.17 CNCCC1=NC=CC=C1 D03102 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.17 CNCCC1=NC=CC=C1 D07522 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 NNCCC1=CC=CC=C1 D00505 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 NNCCC1=CC=CC=C1 D08349 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 OCCOC1=CC=CC=C1 D08359 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D07148 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08308 [0,1,0,0,0,0|1,0,0]=2 9 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08309 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 D08366 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D00511 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08365 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08966 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.30 CCCCC(O)C1=CC=CC=C1 D01751 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D00485 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D05649 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D08449 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D00124 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D01386 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D04018 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 D08982 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.32 C#CCN(C)CC1=CC=CC=C1 D02564 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.32 C#CCN(C)CC1=CC=CC=C1 D08453 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.32 C=CCC(N)CC1=CC=CC=C1 D02803 [0,0,0,0,0,1|2,0,1]=4 25 B12R1.32 CCNC(C)CC1=CC=CC=C1 D07114 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.8 OCCC1=CC=CC=C1 D00192 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 D10509 [0,2,0,0,0,0|2,0,0]=4 39 B13R1.21 CN[C@H](C)C(O)C1=CC=C(O)C=C1 D08314 [0,2,0,0,0,0|1,0,0]=3 40 B13R1.21 CN[C@H](C)C(O)C1=CC=C(O)C=C1 D08315 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.466 CNCC(=O)C1=CC(O)=C(O)C=C1 D02774 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.466 CNCC(=O)C1=CC(O)=C(O)C=C1 D07560 [0,2,0,0,0,0|1,0,1]=4 43 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 D05688 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 D05689 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 D00095 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 D00996 [0,2,0,0,0,0|1,0,0]=3 47 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 D02149 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 D01573 [0,2,0,0,0,0|1,0,0]=3 49 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 D07931 [0,2,0,0,0,0|1,0,0]=3 50 B13R1.152 CC(C(O)C1=CC=CC=C1)N(C)C D02109 [0,2,0,0,0,0|1,0,0]=3 51 B13R1.152 CC(C(O)C1=CC=CC=C1)N(C)C D09842 [0,2,0,0,0,0|1,0,0]=3 52 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C D01952 [0,2,0,0,0,0|1,0,0]=3 53 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C D08206 [0,2,0,0,0,0|1,0,0]=3 54 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [1,0,0,1,0,0|0,0,0]=2 55 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [1,0,0,1,0,0|0,0,0]=2 56 B13R2.15 NC1CCCC1C2=CC=CC=C2 D03629 [0,0,0,1,0,1|2,0,0]=4