0  B17R1.4465  O=C(O)[C@@H](N)CC1=CC=C(OC(F)(F)F)C=C1      AK172662 [0,0,0,0,0,0|4,0,0]=4
1  B17R1.4465  O=C(O)[C@H](N)CC1=CC=C(OC(C)(C)C)C=C1      AK111179 [0,0,0,0,0,0|4,0,0]=4
2  B17R1.4465  O=C(O)[C@H](N)CC1=CC=C(OC(F)(F)F)C=C1      AK172656 [0,0,0,0,0,0|4,0,0]=4
3  B17R1.4465  [C@H](N)(CC1=CC=C(OC(C)(C)C)C=C1)C(O)=O      AK-48716 [0,0,0,0,0,0|4,0,0]=4
4  B16R1.4113  O=C(O)[C@@H](N)CC1=CC=C(S(=O)(O)=O)C=C1      AK167457 [0,0,0,0,1,0|1,0,1]=3
5  B15R1.495  N[C@@H](CC1=CC=C(C(C)=O)C=C1)C(O)=O      AK175677 [1,0,0,0,1,0|2,0,0]=4
6  B15R1.495  N[C@@H](CC1=CC=C([N+]([O-])=O)C=C1)C(O)=O      AK-42493 [1,0,0,0,1,0|0,1,1]=4
7  B15R1.495  N[C@H](CC1=CC=C([N+]([O-])=O)C=C1)C(O)=O      AK-42482 [1,0,0,0,1,0|0,1,1]=4
8  B15R1.495  O=C(O)C(N)CC1=CC=C(C(C)=O)C=C1      AK-80840 [1,0,0,0,1,0|2,0,0]=4
9  B15R1.495  O=C(O)C(N)CC1=CC=C([N+]([O-])=O)C=C1      AK106114 [1,0,0,0,1,0|0,1,1]=4
10  B15R1.495  O=C(O)[C@@H](N)CC1=CC=C(C(C)=O)C=C1      AK120220 [1,0,0,0,1,0|2,0,0]=4
11  B15R1.495  O=C(O)[C@H](N)CC1=CC=C([N+]([O-])=O)C=C1      AK684545 [1,0,0,0,1,0|0,1,1]=4
12  B15R1.495  [N+](=O)([O-])C1=CC=C(C[C@H](N)C(=O)O)C=C1      AK-45591 [1,0,0,0,1,0|0,1,1]=4