0 B10R1.17 CNCCC1=NC=CC=C1 D01592 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.17 CNCCC1=NC=CC=C1 D03102 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CNCCC1=NC=CC=C1 D07522 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 NNCCC1=CC=CC=C1 D00505 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 NNCCC1=CC=CC=C1 D08349 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 OCCOC1=CC=CC=C1 D08359 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.28 OCCSCC1=CC=NC=C1 D05737 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 D05464 [0,1,0,0,0,0|3,0,0]=4 12 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,0,0,1,0,0|2,0,0]=3 13 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|1,0,1]=4 15 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [1,1,0,0,0,0|0,0,0]=2 18 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [1,1,0,0,0,0|0,0,0]=2 19 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [1,1,0,0,0,0|0,0,0]=2 20 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [1,1,0,0,0,0|0,0,0]=2 21 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [1,1,0,0,0,0|0,0,0]=2 22 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [1,1,0,0,0,0|0,0,0]=2 23 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D07148 [0,2,0,0,0,0|0,0,0]=2 26 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08308 [0,2,0,0,0,0|0,0,0]=2 27 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08309 [0,2,0,0,0,0|0,0,0]=2 28 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 D08370 [0,2,0,0,0,0|0,0,0]=2 29 B12R1.49 CNC(C)CC1=CC=C(O)C=C1 D08371 [0,2,0,0,0,0|0,0,0]=2 30 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 D08366 [0,2,0,0,0,0|0,0,0]=2 31 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D00511 [0,2,0,0,0,0|0,0,0]=2 32 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08365 [0,2,0,0,0,0|0,0,0]=2 33 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08966 [0,2,0,0,0,0|0,0,0]=2 34 B12R1.30 CCCCC(O)C1=CC=CC=C1 D01751 [0,2,0,0,0,0|1,0,0]=3 35 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D00485 [0,2,0,0,0,0|0,0,0]=2 36 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D05649 [0,2,0,0,0,0|0,0,0]=2 37 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 D08449 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D00124 [0,2,0,0,0,0|0,0,0]=2 39 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D01386 [0,2,0,0,0,0|0,0,0]=2 40 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 D04018 [0,2,0,0,0,0|0,0,0]=2 41 B12R1.34 CN[C@H](C)[C@@H](O)C1=CC=CC=C1 D08982 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.32 C#CCN(C)CC1=CC=CC=C1 D02564 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.32 C#CCN(C)CC1=CC=CC=C1 D08453 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.32 C=CCC(N)CC1=CC=CC=C1 D02803 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.32 CCNC(C)CC1=CC=CC=C1 D07114 [0,2,0,0,0,0|0,0,0]=2 46 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 D05868 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D00021 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 D01018 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 D08180 [0,2,0,0,0,0|0,0,0]=2 50 B8R1.8 NCCC1=CNC=N1 D04444 [1,0,0,0,1,0|2,0,0]=4 51 B8R1.8 NCCC1=CNC=N1 D04445 [1,0,0,0,1,0|2,0,0]=4 52 B8R1.8 NCCC1=CNC=N1 D08040 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.8 NCCC1=NNC=C1 D01187 [1,0,0,0,1,0|2,0,0]=4