0  B15R1.499  CC(=O)CCC1=CC=C(OC(C)=O)C=C1 19488 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.499  CC(=O)OC1=CC=C(OCC(=O)O)C=C1 20525 [0,0,0,0,0,0|2,0,0]=2
2  B15R1.499  CC(=O)OC1=CC=C(\C=C\C(=O)O)C=C1 8234 [0,0,0,0,0,0|1,0,2]=3
3  B14R1.68  CSCCC1=CC=C(CC(=O)O)C=C1 10720 [1,0,0,0,0,0|3,0,0]=4
4  B16R1.1139  COC(=O)COC1=CC=C(CC(C)=O)C=C1 25975 [0,1,0,0,0,0|2,0,0]=3
5  B16R1.1283  CC(=O)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 29021 [0,1,0,0,0,0|1,0,0]=2
6  B14R1.419  NC(=O)C1=CC=C(OCC(=O)O)C=C1 19216 [0,0,0,0,1,0|3,0,0]=4
7  B14R1.419  O=C(O)CCC1=CC=C(C(=O)O)C=C1 19268 [0,0,0,0,1,0|2,0,0]=3
8  B14R1.419  O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 13615 [0,0,0,0,1,0|3,0,0]=4
9  B14R1.805  CC(=O)OC1=CC=C(OC(C)=O)C=C1 3051 [0,0,0,0,1,0|1,0,0]=2
10  B14R1.805  O=C(O)CC1=CC=C(CC(=O)O)C=C1 25654 [0,0,0,0,1,0|3,0,0]=4
11  B13R1.142  CCOC1=CC=C(NC(C)=O)C=C1 35817 [2,0,0,0,0,0|2,0,0]=4
12  B13R1.3  COC1=CC=C(CCC(=O)O)C=C1 8251 [2,0,0,0,0,0|1,0,0]=3
13  B13R1.3  O=CC1=CC=C(CCC(=O)O)C=C1 27618 [2,0,0,0,0,0|1,0,0]=3
14  B15R1.779  CNCC(Cl)C1=CC=C(OC(C)=O)C=C1 19319 [1,1,0,0,0,0|1,0,0]=3
15  B15R1.16  CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 13162 [1,1,0,0,0,0|1,0,1]=4
16  B15R1.5380  CC(=O)COC1=CC(O)=C(C(C)=O)C=C1 14440 [0,1,0,0,1,0|1,0,0]=3
17  B15R2.7688  CC(=O)CCC1=CC2=C(C=C1)OCO2 15363 [1,0,0,1,0,0|0,0,2]=4
18  B15R2.7688  O=C(O)CCC1=CC2=C(C=C1)OCC2 14820 [1,0,0,1,0,0|1,0,1]=4
19  B15R2.7174  O=C1CCC2=CC=C([N+](=O)[O-])C=C2C1 18152 [0,0,0,1,1,0|2,0,0]=4
20  B13R1.585  CC(=O)C1=CC=C(CC(C)C)C=C1 3116 [0,0,0,0,2,0|1,0,1]=4
21  B13R1.585  CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 18646 [0,0,0,0,2,0|2,0,0]=4
22  B13R1.585  CC(=O)NC1=CC=C(C(=O)O)C=C1 23823 [0,0,0,0,2,0|2,0,0]=4
23  B13R1.585  CC(=O)NC1=CC=C(C(C)=O)C=C1 12559 [0,0,0,0,2,0|1,0,0]=3
24  B13R1.585  CC(=O)OC1=CC=C(C(=O)O)C=C1 13099 [0,0,0,0,2,0|2,0,0]=4
25  B13R1.585  NC(=O)CC1=CC=C(C(=O)O)C=C1 17544 [0,0,0,0,2,0|2,0,0]=4
26  B13R1.585  O=C(O)CC1=CC=C(C(=O)O)C=C1 20045 [0,0,0,0,2,0|2,0,0]=4
27  B15R1.1080  CC(=O)NCCC1=CC=C(C(C)=O)C=C1 12561 [0,0,0,0,1,1|0,0,0]=2
28  B15R1.1080  CC(=O)NCCC1=CC=C([N+](=O)[O-])C=C1 11654 [0,0,0,0,1,1|2,0,0]=4
29  B15R1.1080  NC(=O)C1=CC=C(OCCC(=O)O)C=C1 19234 [0,0,0,0,1,1|2,0,0]=4