0 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C CHEBI:18208 [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 CHEBI:51352 [0,0,0,0,0,0|0,0,1]=1 2 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:51354 [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 CHEBI:51765 [0,0,0,0,0,0|0,0,1]=1 4 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:52139 [0,0,0,0,0,0|0,0,1]=1 5 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:52151 [0,0,0,0,0,0|0,0,1]=1 6 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:52154 [0,0,0,0,0,0|0,0,1]=1 7 B25R3.529931862 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C CHEBI:7963 [0,0,0,0,0,0|0,0,1]=1 8 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 CHEBI:58974 [0,1,0,0,0,0|0,0,2]=3 9 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C CHEBI:28971 [0,1,0,0,0,0|0,0,0]=1 10 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C CHEBI:31209 [0,1,0,0,0,0|0,0,0]=1 11 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:34535 [0,1,0,0,0,0|0,0,1]=2 12 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:50658 [0,1,0,0,0,0|0,0,1]=2 13 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:51342 [0,1,0,0,0,0|0,0,1]=2 14 B26R3.529849969 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)[O-])C CHEBI:51343 [0,1,0,0,0,0|0,0,1]=2 15 B26R3.529849978 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)O)C CHEBI:27446 [0,0,0,0,0,1|0,0,0]=1 16 B26R3.529849978 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)[O-])C CHEBI:31973 [0,0,0,0,0,1|0,0,1]=2 17 B26R3.529849978 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)[O-])C CHEBI:51355 [0,0,0,0,0,1|0,0,1]=2 18 B26R3.529849978 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)[O-])C CHEBI:7967 [0,0,0,0,0,1|0,0,1]=2 19 B25R2.656346627 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C CHEBI:61222 [0,1,1,0,0,0|0,0,0]=2 20 B25R2.656346627 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)[O-])NC(=O)Cc2ccccc2)C(=O)[O-])C CHEBI:63418 [0,1,1,0,0,0|0,0,1]=3 21 B25R2.656346627 CC1([C@@H]([NH2+][C@H](S1)[C@@H](C(=O)[O-])NC(=O)Cc2ccccc2)C(=O)[O-])C CHEBI:61217 [0,1,1,0,0,0|0,0,2]=4 22 B25R2.656346627 CC1([C@@H]([NH2+][C@H](S1)[C@@H](C(=O)[O-])NC(=O)Cc2ccccc2)C(=O)[O-])C CHEBI:61220 [0,1,1,0,0,0|0,0,2]=4 23 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 CHEBI:2676 [0,2,0,0,0,0|0,0,0]=2 24 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 CHEBI:51254 [0,2,0,0,0,0|0,0,0]=2 25 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 CHEBI:51255 [0,2,0,0,0,0|0,0,1]=3 26 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 CHEBI:51256 [0,2,0,0,0,0|0,0,1]=3 27 B27R3.1233615266 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)O)C CHEBI:52060 [0,2,0,0,0,0|0,0,0]=2 28 B27R3.1233615266 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)[O-])C CHEBI:52062 [0,2,0,0,0,0|0,0,1]=3 29 B27R3.1233615266 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)[O-])C CHEBI:52063 [0,2,0,0,0,0|0,0,1]=3