0 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 D07190 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 CN(C)C1=CC=C(O)C=C1 D07852 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.13 NC1=CC=C(C(=O)O)C=C1 D02456 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02906 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 D02907 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 D09794 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D00076 [0,1,0,0,0,0|1,0,1]=3 7 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D05206 [0,1,0,0,0,0|1,0,1]=3 8 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 D08284 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.1 COC1=CC=C(O)C=C1 D04926 [2,0,0,0,0,0|2,0,0]=4 10 B9R1.6 NC(=O)C1=CN=CC=C1 D00036 [2,0,0,0,0,0|2,0,0]=4 11 B9R1.6 O=C(O)C1=CC=CC=C1 D00038 [2,0,0,0,0,0|0,0,0]=2 12 B9R1.6 O=C(O)C1=CN=CC=C1 D00049 [2,0,0,0,0,0|1,0,0]=3 13 B9R1.6 O=C([O-])C1=CC=CC=C1 D02277 [2,0,0,0,0,0|0,0,1]=3 14 B9R1.6 O=C([O-])C1=CC=CC=C1 D05576 [2,0,0,0,0,0|0,0,1]=3 15 B9R1.69 CC1=C(Cl)C=CC(O)=C1 D03468 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.69 O=C1C=C(O)C(Cl)=CN1 D01846 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 D07568 [1,1,0,0,0,0|1,0,0]=3 18 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D07157 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 D02988 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 D01403 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 D01870 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.22 COC(=O)C1=CC=C(O)C=C1 D01400 [1,1,0,0,0,0|0,0,0]=2 23 B11R1.22 COC(=O)C1=CC=C([O-])C=C1 D02458 [1,1,0,0,0,0|0,0,1]=3 24 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 D00162 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 D00875 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D01643 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.166 NC1=CC=C(C(=O)[O-])C([O-])=C1 D03368 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 D00377 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D00633 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D07870 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.192 NOCC1=CC(O)=C(Br)C=C1 D03158 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.280 COC1=C(O)C=CC(C=O)=C1 D00091 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.466 CNCC(=O)C1=CC(O)=C(O)C=C1 D02774 [0,2,0,0,0,0|1,0,0]=3 37 B13R1.466 CNCC(=O)C1=CC(O)=C(O)C=C1 D07560 [0,2,0,0,0,0|1,0,0]=3 38 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 D05688 [0,2,0,0,0,0|1,0,1]=4 39 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 D05689 [0,2,0,0,0,0|1,0,1]=4 40 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 D00095 [0,2,0,0,0,0|1,0,1]=4 41 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 D00996 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 D02149 [0,2,0,0,0,0|1,0,1]=4 43 B13R2.13083 O=C1NC2=CC(Cl)=C(Br)C=C2O1 D03161 [0,0,0,1,0,1|2,0,0]=4 44 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 D00217 [1,0,0,0,0,1|1,0,0]=3 45 B11R1.157 CC(=O)OC1=CC(O)=CC=C1 D02393 [1,0,0,0,0,1|1,0,0]=3