0  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C TS78124 [0,0,0,0,0,0|0,0,0]=0
1  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C TS84858 [0,0,0,0,0,0|0,0,0]=0
2  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C TS66202 [0,0,0,0,0,0|0,0,1]=1
3  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C TS80075 [0,0,0,0,0,0|0,0,1]=1
4  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C TS79084 [0,1,0,0,0,0|0,0,2]=3
5  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C TS64687 [0,1,0,0,0,0|0,0,0]=1
6  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C TS69373 [0,1,0,0,0,0|0,0,0]=1
7  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C TS80037 [0,1,0,0,0,0|0,0,1]=2
8  B26R3.529849978  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C TS79025 [0,0,0,0,0,1|0,0,0]=1
9  B26R3.529849978  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)[O-])C TS80650 [0,0,0,0,0,1|0,0,1]=2
10  B27R3.368466399  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C TS66612 [0,2,0,0,0,0|0,0,0]=2
11  B27R3.368466399  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)[O-])C TS80609 [0,2,0,0,0,0|0,0,1]=3
12  B27R3.1233615266  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)O)C TS79590 [0,2,0,0,0,0|0,0,0]=2
13  B25R3.18492161  CC1=C(N2C(C(C2=O)NC(=O)Cc3ccccc3)SC1)C(=O)O TS77993 [0,0,1,1,0,0|0,0,2]=4