0 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 COC(=O)C1=CC=CN=C1 D04991 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 NNC(=O)C1=CC=NC=C1 D00346 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 [*]OC(=O)C1=CC=CC=C1 D02816 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 NC(=O)C1=CN=CC=N1 D00144 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.16 CCOC(=O)C1=CC=CN=C1 D08274 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.16 O=C(NCO)C1=CN=CC=C1 D08051 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.222 COC(=O)C1=CC=CC=C1O D01087 [0,1,0,0,0,0|1,0,0]=2 24 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,0,0,0,0,1|2,0,1]=4 27 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,0,0,0,0,1|2,0,1]=4 28 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,0,0,0,0,1|2,0,1]=4 29 B8R1.2 C(=O)C1=CC=CC=C1 D02314 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.2 OCC1=CC=CC=C1 D00077 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 OCC1=CC=CN=C1 D05158 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.13 CN(C)C1=CC=C(O)C=C1 D07852 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.61 NC(=O)C1=C(O)C=CC=C1 D01811 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.61 O=C(O)C1=C(O)C=CC=C1 D07293 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.61 O=C(O)C1=C(S)C=CC=C1 D08586 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.61 O=C(O)C1=CC=CC=C1O D00097 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.61 O=C(O)C1=CC=CC=C1O D08501 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00566 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D00810 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D05788 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07694 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D07824 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 D00971 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 CNCCC1=NC=CC=C1 D01592 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.17 CNCCC1=NC=CC=C1 D03102 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.17 CNCCC1=NC=CC=C1 D07522 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.17 NNCCC1=CC=CC=C1 D00505 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.17 NNCCC1=CC=CC=C1 D08349 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.17 OCCOC1=CC=CC=C1 D08359 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [1,1,0,0,0,0|0,0,1]=3 55 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [1,1,0,0,0,0|0,0,1]=3 56 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [1,1,0,0,0,0|0,0,1]=3 57 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [1,1,0,0,0,0|0,0,1]=3 58 B12R1.32 CCNC(C)CC1=CC=CC=C1 D07114 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.10 CC[N+](C)(C)C1=CC=CC(O)=C1 D00994 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 D00552 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 D01647 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.16 CCOC(=O)C1=CC=C([O-])C=C1 D10929 [0,2,0,0,0,0|0,0,0]=2 63 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D07148 [0,2,0,0,0,0|0,0,2]=4 64 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08308 [0,2,0,0,0,0|0,0,2]=4 65 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D08309 [0,2,0,0,0,0|0,0,2]=4 66 B12R1.17 CCOC(=O)C1=CC=CC([NH3+])=C1 D08632 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 D08366 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D00511 [0,2,0,0,0,0|0,0,2]=4 69 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08365 [0,2,0,0,0,0|0,0,2]=4 70 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 D08966 [0,2,0,0,0,0|0,0,2]=4 71 B12R1.30 CCCCC(O)C1=CC=CC=C1 D01751 [0,2,0,0,0,0|0,0,2]=4 72 B12R1.107 CS(=O)CC(=O)C1=NC=CC=C1 D05305 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 D01019 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.225 C[C@H](N)[C@H](O)C1=CC(O)=CC=C1 D08192 [0,2,0,0,0,0|0,0,2]=4 75 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D07751 [0,0,0,1,0,1|0,0,2]=4 76 B12R2.612 O=C1NSC2=CC(Cl)=CC=C12 D06139 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=CC=CS1 D08568 [1,0,0,0,1,0|2,0,0]=4