0 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1 2 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 DB01486 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 DB03297 [0,1,0,0,0,0|3,0,0]=4 12 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [0,0,0,1,0,0|0,0,1]=2 13 B11R2.10 NC1N=C2C=CC=CC2=N1 DB01665 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,0,0,0,1,0|1,0,1]=3 15 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,0,0,0,1,0|1,0,0]=2 16 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,0,0,0,1,0|1,0,1]=3 17 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2 22 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4 23 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|0,0,2]=4 26 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|0,0,2]=4 28 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [1,1,0,0,0,0|0,0,2]=4 29 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [1,1,0,0,0,0|0,0,2]=4 33 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,1,0,0,0,1|1,0,1]=4 36 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.4 COC1=CC=C(CC(C)N)C=C1 DB01472 [0,2,0,0,0,0|0,0,0]=2 38 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,2,0,0,0,0|0,0,1]=3 40 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.225 [C@H](C)(C1=CC(O)=CC=C1)N(C)C DB04556 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.32 CCS\C(N)=N\C1=CC=CC=C1 DB03707 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.151 CC(C)(N)CC1=CC=CC=C1Cl DB01527 [0,2,0,0,0,0|0,0,0]=2 44 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,0]=3 45 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|0,0,2]=4 46 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|1,0,1]=4