0 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.43 [C@H](N)(CC1=CC=CC=C1)B(O)O DB07411 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,0,0,0,1,0|2,0,1]=4 19 B9R1.8 NCCC1=CC=CC=C1 DB04325 [2,0,0,0,0,0|0,0,0]=2 20 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.8 OCCC1=CC=CC=C1 DB02192 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.28 NCCCCC1=CC=CC=C1 DB04311 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [1,1,0,0,0,0|0,0,0]=2 27 B13R1.351 [C@H](N)(CCC1=CC=CC=C1)C(C)=O DB07913 [0,1,0,0,0,1|2,0,0]=4 28 B13R1.202 [C@@H](C)(CC1=CC=CC=C1O)C(=O)O DB01662 [0,2,0,0,0,0|2,0,0]=4 29 B13R1.418 [C@@H](CI)(CC1=CC=CC=C1)C(=O)O DB03441 [0,2,0,0,0,0|2,0,0]=4 30 B13R1.418 [C@H](CS)(CC1=CC=CC=C1)C(=O)O DB02953 [0,2,0,0,0,0|2,0,0]=4 31 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [1,0,0,1,0,0|2,0,0]=4 32 B11R2.10 NC1N=C2C=CC=CC2=N1 DB01665 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,1,0|1,0,1]=4 34 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,1,0|1,0,0]=3 35 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,1,0|1,0,1]=4