0  B27R0.16703066  O=C(O)CC(CC(=O)O)NC(=O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O 1c3eda965c29794a873e1705b27970cb [0,1,0,0,0,0|2,0,1]=4
1  B27R0.16703066  O=C(O)CC(CC(=O)O)NC(=S)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O c542146028f4f1e96a11e54b90fa2754 [0,1,0,0,0,0|2,0,1]=4
2  B26R0.12076904  O=C(O)CC(OCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O 9eaaa9516cd7b1f532b52c7da4020544 [0,0,0,0,1,1|1,0,0]=3