0 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.3 [C@H](CC)(NC=O)C1=CC=CC=C1 DB07436 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 DB00388 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.32 C#CCN(C)CC1=CC=CC=C1 DB01626 [0,0,0,0,0,1|2,0,1]=4 18 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.8 NCCC1=CC=CC=C1 DB04325 [2,0,0,0,0,0|0,0,0]=2 22 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [2,0,0,0,0,0|1,0,1]=4 23 B9R1.8 OCCC1=CC=CC=C1 DB02192 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.28 NCCCCC1=CC=CC=C1 DB04311 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.28 S=C=NCCC1=CC=CC=C1 DB12695 [1,1,0,0,0,0|0,0,2]=4 29 B11R1.40 CC(CC1=CC=CC=C1)NN DB09250 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 DB01577 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 DB09571 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.21 CNC(C)C(=O)C1=CC=C(C)C=C1 DB13108 [0,2,0,0,0,0|1,0,1]=4 38 B13R1.21 [C@@H](C)(NC)[C@H](O)C1=CC=C(O)C=C1 DB11610 [0,2,0,0,0,0|1,0,0]=3 39 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 DB00668 [0,2,0,0,0,0|1,0,0]=3 40 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 DB08985 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C DB11278 [0,2,0,0,0,0|1,0,0]=3 42 B11R2.4 NC1CC1C2=CC=CC=C2 DB00752 [1,0,0,1,0,0|0,0,0]=2 43 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [1,0,0,1,0,0|0,0,1]=3 44 B13R2.32 [C@H]1(N)CCC2=CC=CC=C2[C@@H]1O DB08654 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.32 [C@H]1(N)CCC2=CC=CC=C2[C@H]1O DB07597 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.3122 CC1(C)CN[Se]C2=CC=CC=C21 DB05631 [0,1,0,1,0,0|1,0,0]=3 47 B9R1.11 CC[C@@H](C)C1=NC=CS1 DB03087 [1,0,0,0,1,0|2,0,0]=4