0 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,0,0,0|2,0,0]=3 1 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,0,0,0|2,0,0]=3 2 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.1 OCC1=CNC2=CC=CC=C12 DB12881 [0,1,0,0,0,0|2,0,1]=4 4 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.612 OB1OCC2=CC(Cl)=CC=C12 DB12810 [0,1,0,0,0,0|1,0,1]=3 6 B12R2.612 OB1OCC2=CC(F)=CC=C12 DB09041 [0,1,0,0,0,0|1,0,1]=3 7 B10R1.15 COC(=O)C1=CN=CC=C1 DB13882 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.15 NNC(=O)C1=CC=NC=C1 DB00951 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [0,0,1,0,0,0|2,0,0]=3 10 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [0,0,1,0,0,0|3,0,0]=4 11 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.17 NNCCC1=CC=CC=C1 DB00780 [0,0,1,0,0,0|3,0,0]=4 13 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [0,0,1,0,0,0|1,0,0]=2 14 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [0,0,1,0,0,0|0,0,0]=1 15 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [0,0,1,0,0,0|1,0,1]=3 16 B10R1.61 NC(=O)C1=CC=CC=C1O DB08797 [0,0,1,0,0,0|2,0,0]=3 17 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,0,1,0,0,0|1,0,0]=2 18 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,0,1,0,0,0|1,0,0]=2 19 B10R1.61 O=C(O)C1=CC=CC=C1O DB00936 [0,0,1,0,0,0|1,0,0]=2 20 B10R1.61 O=C(O)C1=CC=CC=C1O DB11079 [0,0,1,0,0,0|1,0,0]=2 21 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01397 [0,0,1,0,0,0|1,0,1]=3 22 B10R1.61 O=C([O-])C1=CC=CC=C1O DB01401 [0,0,1,0,0,0|1,0,1]=3 23 B10R1.61 O=C([O-])C1=CC=CC=C1O DB14006 [0,0,1,0,0,0|1,0,1]=3 24 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [0,0,0,0,0,1|1,0,1]=3 25 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,0,0,0,0,1|1,0,1]=3 26 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,1,0,0,0|0,0,0]=2 27 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,1,0,0,0|0,0,2]=4 28 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [1,0,1,0,0,0|2,0,0]=4 29 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,1,0,0,0|2,0,0]=4 30 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [1,0,1,0,0,0|0,0,0]=2 31 B9R1.6 O=C(O)C1=CN=CC=C1 DB00627 [1,0,1,0,0,0|1,0,0]=3 32 B9R1.6 O=C([O-])C1=CC=CC=N1 DB11175 [1,0,1,0,0,0|1,0,1]=4 33 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,1,0,0,0|1,0,1]=4 35 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,1,0,0,0|1,0,1]=4 36 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,1,0,0,0|0,0,0]=2 37 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,1,0,0,0|0,0,2]=4 38 B9R1.15 COC1=C(O)C=CC=C1 DB11359 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.15 NC1=CC=CC=C1CO DB03058 [1,0,1,0,0,0|1,0,0]=3 40 B9R1.15 SCC1=CC=CC=C1I DB03630 [1,0,1,0,0,0|1,1,0]=4 41 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 DB01560 [0,1,1,0,0,0|1,0,0]=3 42 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.222 COC(=O)C1=CC=CC=C1O DB09543 [0,1,1,0,0,0|0,0,0]=2 44 B11R1.222 O=C(NO)C1=CC=CC=C1O DB03819 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,1,1,0,0,0|1,0,0]=3 46 B11R1.159 NC(=O)C1=CC=CC(O)=C1O DB04476 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.159 NC1=C(O)C=CC=C1C(=O)O DB03644 [0,1,1,0,0,0|1,0,0]=3 48 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 DB01672 [0,1,1,0,0,0|1,0,0]=3 49 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 DB00233 [0,1,1,0,0,0|1,0,0]=3 50 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,1,1,0,0,0|1,0,0]=3 51 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 DB00244 [0,1,1,0,0,0|1,0,0]=3 52 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 DB04580 [0,1,0,0,0,1|1,0,1]=4 53 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 DB08785 [0,1,0,0,0,1|1,0,1]=4 54 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 DB03410 [0,1,0,0,0,1|1,0,1]=4 55 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 DB11593 [0,1,0,0,0,1|0,0,1]=3 56 B13R2.342 CC1=CC=CC2=C1CCNC2=O DB03722 [0,1,0,0,0,1|1,0,0]=3 57 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 DB12418 [0,2,0,0,0,0|2,0,0]=4