0  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 [0,0,0,0,0,0|0,0,0]=0
1  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 [0,0,0,0,0,0|0,0,1]=1
2  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 [1,0,0,0,0,0|0,0,2]=3
3  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C TS64687 [1,0,0,0,0,0|0,0,0]=1
4  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C TS69373 [1,0,0,0,0,0|0,0,0]=1
5  B26R3.529849969  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C TS80037 [1,0,0,0,0,0|0,0,1]=2
6  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C TS78124 [2,0,0,0,0,0|0,0,0]=2
7  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C TS84858 [2,0,0,0,0,0|0,0,0]=2
8  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C TS66202 [2,0,0,0,0,0|0,0,1]=3
9  B25R3.529931862  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C TS80075 [2,0,0,0,0,0|0,0,1]=3
10  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 [1,1,0,0,0,0|0,0,1]=3
11  B29R3.2204985434  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccc(c(c3)Cl)Cl)OC)C(=O)O)C TS70169 [0,2,0,0,0,0|2,0,0]=4
12  B27R3.600296621  CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)Oc3ccccc3 TS79729 [1,0,0,0,0,1|1,0,0]=3
13  B27R3.600296621  C[C@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])Oc3ccccc3 TS81157 [1,0,0,0,0,1|1,0,1]=4