0  B11R1.91  C1=CC=C(C=C1)C=CC(=O)O S3677 [1,0,0,0,0,0|2,0,1]=4
1  B11R1.91  C1=CC=C(C=C1)CCC(=O)O S6254 [1,0,0,0,0,0|2,0,0]=3
2  B11R1.91  CC(=O)CCC1=CC=CC=C1 S9376 [1,0,0,0,0,0|1,0,0]=2
3  B11R1.91  CC(=O)OCC1=CC=CC=C1 S5576 [1,0,0,0,0,0|0,0,0]=1
4  B13R1.713  C1=CC=C(C=C1)C(CC(=O)O)CN S4892 [0,1,0,0,0,0|2,0,0]=3
5  B13R2.10  C1CN(NC1=O)C2=CC=CC=C2 S5520 [0,0,0,1,0,0|2,0,0]=3
6  B11R1.36  C1=CC=C(C=C1)C(=O)C(=O)O S6053 [0,0,0,0,1,0|2,0,1]=4
7  B11R1.36  C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,0,0,0,1,0|2,0,0]=3
8  B11R1.36  CC(=O)C(=O)C1=CC=CC=C1 S6009 [0,0,0,0,1,0|1,0,1]=3
9  B11R1.36  CC(C1=CC=CC=C1)C(=O)O S6321 [0,0,0,0,1,0|1,0,0]=2
10  B10R1.17  C1=CC=C(C=C1)C=CC=O S3763 [2,0,0,0,0,0|1,0,1]=4
11  B12R1.21  C1=CC(=CC=C1CCC(=O)O)O S3795 [1,1,0,0,0,0|2,0,0]=4
12  B12R1.21  CC(=O)CCC1=CC=C(C=C1)O S9480 [1,1,0,0,0,0|1,0,0]=3
13  B12R1.27  COC(=O)C=CC1=CC=CC=C1 S6221 [1,1,0,0,0,0|1,0,1]=4
14  B12R1.43  C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [1,1,0,0,0,0|2,0,0]=4
15  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)N S4153 [1,1,0,0,0,0|2,0,0]=4
16  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)O S6271 [1,1,0,0,0,0|2,0,0]=4
17  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)O S6326 [1,1,0,0,0,0|2,0,0]=4
18  B12R1.226  C1=CC(=CC(=C1)O)CCC(=O)O S6074 [1,1,0,0,0,0|2,0,0]=4
19  B12R1.478  C1=CC=C(C=C1)C(CO)C(=O)O S5689 [0,1,0,0,1,0|1,0,0]=3
20  B12R1.478  CCC(C1=CC=CC=C1)C(=O)O S6086 [0,1,0,0,1,0|1,0,0]=3
21  B14R1.1019  C1=CC(=CC=C1C(CC(=O)O)CN)Cl S3072 [0,2,0,0,0,0|2,0,0]=4
22  B14R1.1019  C1=CC(=CC=C1C(CC(=O)O)CN)Cl S3072 [0,2,0,0,0,0|2,0,0]=4
23  B14R1.1019  C1=CC(=CC=C1C(CC(=O)O)CN)Cl S4840 [0,2,0,0,0,0|2,0,0]=4
24  B12R2.24  C1CC(=O)OC2=CC=CC=C21 S9379 [1,0,0,1,0,0|2,0,0]=4
25  B14R2.4514  CN1C(CCC1=O)C2=CN=CC=C2 S9339 [0,1,0,1,0,0|2,0,0]=4
26  B14R2.4514  CN1C(CCC1=O)C2=CN=CC=C2 S9339 [0,1,0,1,0,0|2,0,0]=4
27  B10R1.66  CC(=O)OCC1=CC=CO1 S5831 [1,0,0,0,1,0|1,0,0]=3
28  B12R1.252  C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [1,0,0,0,0,1|2,0,0]=4
29  B12R1.252  C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [1,0,0,0,0,1|2,0,0]=4