0  B15R1.12250  C1=CC(=CC=C1C(C(=O)O)C)CC(C)C      AK-47272 [0,0,0,0,0,0|0,0,0]=0
1  B15R1.12250  CC(CC1=CC=C([C@H](C(O)=O)C)C=C1)C      AK307336 [0,0,0,0,0,0|0,0,0]=0
2  B15R1.12250  [C@H](C1=CC=C(CC(C)C)C=C1)(C(O)=O)C      AK-73124 [0,0,0,0,0,0|0,0,0]=0
3  B14R1.805  O=C(O)CC1=CC=C(CC(C)C)C=C1      AK-51509 [1,0,0,0,0,0|0,0,0]=1
4  B14R1.805  O=C(O)CC1=CC=C(NC(C)=O)C=C1      AK206304 [1,0,0,0,0,0|2,0,1]=4
5  B14R1.805  OC(=O)CC1=CC=C(OC(F)F)C=C1      AK-96274 [1,0,0,0,0,0|3,0,0]=4
6  B14R1.6402  CC(C1=CC=C(C(N)=O)C=C1)C(O)=O      AK159092 [0,0,0,0,1,0|2,0,1]=4
7  B13R1.36  CC(C1=CC=C(C#N)C=C1)C(O)=O      AK148922 [2,0,0,0,0,0|1,0,1]=4
8  B13R1.36  CC(C1=CC=C(CBr)C=C1)C(O)=O      AK-94166 [2,0,0,0,0,0|1,0,0]=3
9  B13R1.36  CC(C1=CC=C(OC)C=C1)C(O)=O      AK139354 [2,0,0,0,0,0|1,0,0]=3
10  B13R1.36  O=C(O)C(N)C1=CC=C(OC)C=C1      AK-44576 [2,0,0,0,0,0|2,0,0]=4
11  B13R1.36  O=C(O)[C@@H](O)C1=CC=C(OC)C=C1      AK-43949 [2,0,0,0,0,0|2,0,0]=4
12  B13R1.36  O=C(O)[C@H](O)C1=CC=C(OC)C=C1      AK-45069 [2,0,0,0,0,0|2,0,0]=4
13  B13R1.36  OC(C1=CC=C(OC)C=C1)C(O)=O      AK-46464 [2,0,0,0,0,0|2,0,0]=4
14  B13R1.142  O=C(O)CC1=CC=C(CCC)C=C1      AK140344 [2,0,0,0,0,0|0,0,0]=2
15  B13R1.585  CC(C1=CC=C(CC(C)C)C=C1)=O      AK208820 [2,0,0,0,0,0|0,0,1]=3
16  B17R1.4465  O=C(O)[C@H](N)CC1=CC=C(OC(C)(C)C)C=C1      AK111179 [0,1,0,0,0,1|2,0,0]=4
17  B17R1.4465  [C@H](N)(CC1=CC=C(OC(C)(C)C)C=C1)C(O)=O      AK-48716 [0,1,0,0,0,1|2,0,0]=4
18  B15R2.4239  O=C(O)C(C1=CC=C2OCCC2=C1)O      AK122481 [1,0,0,1,0,0|2,0,0]=4
19  B15R1.5504  O=C(O)CC(N)C1=CC=C(C(C)C)C=C1      AK-40060 [0,0,0,0,1,1|1,0,0]=3