0  B11R1.166  CC1=CC=C(C(C)C)C(O)=C1 D01039 [0,0,0,0,0,0|2,0,1]=3
1  B11R1.166  NC1=CC=C(C(=O)O)C(O)=C1 D00162 [0,0,0,0,0,0|3,0,0]=3
2  B11R1.166  NC1=CC=C(C(=O)[O-])C(O)=C1 D00875 [0,0,0,0,0,0|3,0,0]=3
3  B11R1.166  NC1=CC=C(C(=O)[O-])C([O-])=C1 D01643 [0,0,0,0,0,0|3,0,0]=3
4  B11R1.166  NC1=CC=C(C(=O)[O-])C([O-])=C1 D03368 [0,0,0,0,0,0|3,0,0]=3
5  B10R1.13  CN(C)C1=CC=C(O)C=C1 D07852 [1,0,0,0,0,0|3,0,0]=4
6  B10R1.13  NC1=CC=C(C(=O)O)C=C1 D02456 [1,0,0,0,0,0|2,0,0]=3
7  B10R1.13  NC1=CC=C(C(=O)[O-])C=C1 D02906 [1,0,0,0,0,0|2,0,0]=3
8  B10R1.13  NC1=CC=C(C(=O)[O-])C=C1 D02907 [1,0,0,0,0,0|2,0,0]=3
9  B10R1.61  NC(=O)C1=C(O)C=CC=C1 D01811 [1,0,0,0,0,0|2,0,0]=3
10  B10R1.61  O=C(O)C1=C(O)C=CC=C1 D07293 [1,0,0,0,0,0|2,0,0]=3
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12  B10R1.61  O=C(O)C1=CC=CC=C1O D00097 [1,0,0,0,0,0|2,0,0]=3
13  B10R1.61  O=C(O)C1=CC=CC=C1O D08501 [1,0,0,0,0,0|2,0,0]=3
14  B10R1.61  O=C([O-])C1=C(O)C=CC=C1 D00566 [1,0,0,0,0,0|2,0,0]=3
15  B10R1.61  O=C([O-])C1=C(O)C=CC=C1 D00810 [1,0,0,0,0,0|2,0,0]=3
16  B10R1.61  O=C([O-])C1=C(O)C=CC=C1 D05788 [1,0,0,0,0,0|2,0,0]=3
17  B10R1.61  O=C([O-])C1=C(O)C=CC=C1 D07694 [1,0,0,0,0,0|2,0,0]=3
18  B10R1.61  O=C([O-])C1=C(O)C=CC=C1 D07824 [1,0,0,0,0,0|2,0,0]=3
19  B10R1.61  O=C([O-])C1=C(S)C=CC=C1 D00971 [1,0,0,0,0,0|2,0,0]=3
20  B12R1.232  CC1=CC(O)=C(C(C)C)C=C1Cl D07681 [0,1,0,0,0,0|2,0,1]=4
21  B12R1.1000  CC(=O)[C-]1C(=O)C=C(C)OC1=O D05856 [0,1,0,0,0,0|2,0,1]=4
22  B12R2.612  O=C1NSC2=CC(Cl)=CC=C12 D06139 [0,0,0,1,0,0|3,0,0]=4
23  B9R1.1  COC1=CC=C(O)C=C1 D04926 [2,0,0,0,0,0|2,0,0]=4
24  B9R1.6  NC(=O)C1=CN=CC=C1 D00036 [2,0,0,0,0,0|2,0,0]=4
25  B9R1.6  O=C(O)C1=CC=CC=C1 D00038 [2,0,0,0,0,0|1,0,0]=3
26  B9R1.6  O=C(O)C1=CN=CC=C1 D00049 [2,0,0,0,0,0|2,0,0]=4
27  B9R1.6  O=C([O-])C1=CC=CC=C1 D02277 [2,0,0,0,0,0|1,0,0]=3
28  B9R1.6  O=C([O-])C1=CC=CC=C1 D05576 [2,0,0,0,0,0|1,0,0]=3
29  B9R1.15  COC1=CC=CC=C1O D00117 [2,0,0,0,0,0|2,0,0]=4
30  B9R1.69  CC1=C(Cl)C=CC(O)=C1 D03468 [2,0,0,0,0,0|2,0,0]=4
31  B11R1.3  NCC1=CC=C(C(=O)O)C=C1 D07568 [1,1,0,0,0,0|1,0,0]=3
32  B11R1.19  CC1=CC=C(S(=O)(=O)O)C=C1 D07157 [1,1,0,0,0,0|2,0,0]=4
33  B11R1.22  CCC(=O)C1=CC=C(O)C=C1 D01870 [1,1,0,0,0,0|1,0,0]=3
34  B11R1.22  COC(=O)C1=CC=C(O)C=C1 D01400 [1,1,0,0,0,0|1,0,0]=3
35  B11R1.22  COC(=O)C1=CC=C([O-])C=C1 D02458 [1,1,0,0,0,0|1,0,0]=3
36  B11R1.167  NC1=CC(C(=O)O)=C(O)C=C1 D00377 [1,1,0,0,0,0|2,0,0]=4
37  B11R1.222  COC(=O)C1=CC=CC=C1O D01087 [1,1,0,0,0,0|1,0,0]=3
38  B13R1.120  P(=O)(O)C1=C(C)C=C(N(C)C)C=C1 D08615 [0,2,0,0,0,0|2,0,0]=4
39  B13R1.4656  CCC(=O)C1=C(O)C=C(O)C=C1O D01259 [0,2,0,0,0,0|2,0,0]=4
40  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 D00217 [1,0,0,0,0,1|1,0,0]=3