0  B27R3.368466399  CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@@H]1C(=O)O 42390 [0,0,0,0,0,0|0,0,0]=0
1  B27R3.368466399  CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@@H]1C(=O)[O-] F20449 [0,0,0,0,0,0|0,0,1]=1
2  B26R3.529849969  CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)N2[C@@H]1C(=O)O 40183 [1,0,0,0,0,0|0,0,0]=1
3  B26R3.529849969  CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)N2[C@@H]1C(=O)O 42357 [1,0,0,0,0,0|0,0,0]=1
4  B26R3.529849969  CC1(C)S[C@H]2[C@@H](NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)N2[C@@H]1C(=O)[O-] 42378 [1,0,0,0,0,0|0,0,1]=2
5  B25R3.529931862  CC1(C)S[C@H]2[C@@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@@H]1C(=O)[O-] D92153 [2,0,0,0,0,0|0,0,1]=3
6  B27R3.368466829  CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CC=C(O)C=C3)[C@@H]2SC1 D81830 [0,0,1,1,0,0|0,0,2]=4
7  B27R3.368466829  CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)C3=CC=C(O)C=C3)[C@@H]2SC1 D95152 [0,0,1,1,0,0|0,0,2]=4