0 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CNCCC1=CC=CC=N1 DB06698 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 OCCOC1=CC=CC=C1 DB11304 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.1 OCCOC1=CC=C(Cl)C=C1 DB11368 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.16 [C@@H](O)(CCCl)C1=CC=CC=C1 DB06934 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.28 NCCCCC1=CC=CC=C1 DB04311 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.28 S=C=NCCC1=CC=CC=C1 DB12695 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.40 CC(CC1=CC=CC=C1)NN DB09250 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 DB02972 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,1,0,0,0,0|0,0,0]=1 20 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 DB04484 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 DB02803 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.91 OB(O)CCC1=CC=CC=C1 DB01963 [0,1,0,0,0,0|2,0,0]=3 24 B11R2.4 NC1CC1C2=CC=CC=C2 DB00752 [0,0,0,1,0,0|2,0,0]=3 25 B11R2.4 [NH3+][C@@H]1C[C@H]1C2=CC=CC=C2 DB02665 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|0,0,0]=2 27 B8R1.2 OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 SCC1=CC=CN=C1 DB04490 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.1 NCCC1=CC=C(O)C=C1 DB08841 [1,1,0,0,0,0|0,0,0]=2 31 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|0,0,2]=4 33 B10R1.4 CCCC1=CC=CC=C1N DB02970 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.15 CC(NN)C1=CC=CC=C1 DB09248 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.18 CC(N)CC1=CC=CC=C1 DB00182 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.18 C[C@H](N)CC1=CC=CC=C1 DB01576 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.18 O=C(O)CC1=CC=CC=C1 DB09269 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 DB13917 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 DB00388 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 DB00852 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 DB01364 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.8 CNCC\C=C\C1=CN=CC=C1 DB05855 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.27 NNC(C)COC1=CC=CC=C1 DB09251 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.32 C#CCN(C)CC1=CC=CC=C1 DB01626 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.252 O=C(O)CCCC1=CC=CC=C1 DB06819 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O DB00120 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.43 [C@@H](C)(O)[C@@H](N)CC1=CC=CC=C1 DB08428 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.43 [C@H](N)(CC1=CC=CC=C1)B(O)O DB07411 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(O)O DB07910 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 DB01365 [0,2,0,0,0,0|0,0,0]=2 63 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,0]=3 64 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|0,0,2]=4 65 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.24 IC1=CC2=C(C=C1)CCNC2 DB03824 [0,1,0,1,0,0|0,0,0]=2 67 B8R1.8 NCCC1=CC=NN1 DB00272 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.8 NCCC1=CNC=N1 DB05381 [1,0,0,0,1,0|2,0,0]=4