0 B11R1.40 CC(CC1=CC=CC=C1)NN DB09250 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.32 C#CCN(C)CC1=CC=CC=C1 DB01626 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O DB00120 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.43 [C@H](N)(CC1=CC=CC=C1)B(O)O DB07411 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 DB01365 [0,1,0,0,0,0|0,0,0]=1 31 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [0,0,0,0,1,0|1,0,0]=2 32 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [0,0,0,0,1,0|3,0,0]=4 33 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,0,0,0,1,0|2,0,1]=4 34 B12R1.27 NNC(C)COC1=CC=CC=C1 DB09251 [0,0,0,0,0,1|1,0,0]=2 35 B9R1.8 NCCC1=CC=CC=C1 DB04325 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.8 OCCC1=CC=CC=C1 DB02192 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.28 NCCCCC1=CC=CC=C1 DB04311 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.28 S=C=NCCC1=CC=CC=C1 DB12695 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.20 CC(N)CC1=CC=C(O)C=C1 DB09352 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [1,1,0,0,0,0|0,0,1]=3 46 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.509 CC(C)(N)CC1=CC=CC=C1 DB00191 [1,1,0,0,0,0|0,0,0]=2 48 B13R1.351 [C@H](N)(CCC1=CC=CC=C1)C(C)=O DB07913 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.417 C\N=C(/NC)NCC1=CC=CC=C1 DB00217 [0,1,0,0,0,1|0,0,1]=3 50 B13R1.21 CNC(C)C(=O)C1=CC=C(C)C=C1 DB13108 [0,2,0,0,0,0|0,0,1]=3 51 B13R1.21 [C@@H](C)(NC)[C@H](O)C1=CC=C(O)C=C1 DB11610 [0,2,0,0,0,0|0,0,0]=2 52 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C DB11278 [0,2,0,0,0,0|0,0,0]=2 53 B13R1.202 [C@@H](C)(CC1=CC=CC=C1O)C(=O)O DB01662 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.418 [C@@H](CI)(CC1=CC=CC=C1)C(=O)O DB03441 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.418 [C@H](CS)(CC1=CC=CC=C1)C(=O)O DB02953 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.275 CC[N+](C)(C)CC1=CC=CC=C1Br DB01158 [0,2,0,0,0,0|2,0,0]=4 57 B11R2.4 NC1CC1C2=CC=CC=C2 DB00752 [1,0,0,1,0,0|2,0,0]=4 58 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [1,0,0,1,0,0|2,0,0]=4 59 B11R2.10 NC1N=C2C=CC=CC2=N1 DB01665 [1,0,0,1,0,0|2,0,0]=4 60 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 DB00797 [0,1,0,1,0,0|0,0,1]=3 61 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,1,0|1,0,1]=4 62 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,1,0|1,0,0]=3 63 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,1,0|1,0,1]=4