0 B26R3.529849969 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O Amb6887773 [0,0,0,0,0,0|0,0,2]=2 1 B26R3.529849969 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-] Amb9786387 [0,0,0,0,0,0|0,0,3]=3 2 B26R3.529849969 CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O Amb24121392 [0,0,0,0,0,0|0,0,2]=2 3 B26R3.529849969 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O Amb533613 [0,0,0,0,0,0|0,0,2]=2 4 B26R3.529849969 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O Amb6355354 [0,0,0,0,0,0|0,0,2]=2 5 B26R3.529849969 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] Amb8393795 [0,0,0,0,0,0|0,0,3]=3 6 B26R3.529849969 CC1(C)S[C@H]2C(C(=O)[C@H]2NC(=O)[C@@H](N)c3ccccc3)[C@H]1C(=O)O Amb29838262 [0,0,0,0,0,0|1,0,2]=3 7 B26R3.529849969 CC1(C)S[C@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O Amb34916682 [0,0,0,0,0,0|0,0,2]=2 8 B25R3.529931862 CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O Amb10845073 [1,0,0,0,0,0|0,0,2]=3 9 B25R3.529931862 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O Amb15691440 [1,0,0,0,0,0|0,0,2]=3 10 B25R3.529931862 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O Amb540437 [1,0,0,0,0,0|0,0,2]=3 11 B25R3.529931862 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-] Amb8385782 [1,0,0,0,0,0|0,0,3]=4 12 B25R3.529931862 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-] Amb8627921 [1,0,0,0,0,0|0,0,3]=4 13 B25R3.529931862 CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)[O-] Amb34915477 [1,0,0,0,0,0|0,0,3]=4 14 B27R3.368466399 CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O Amb9805298 [0,1,0,0,0,0|0,0,2]=3 15 B27R3.368466399 CC1(C)SC2C(NC(=O)C([NH3+])c3ccc(O)cc3)C(=O)N2C1C(=O)O Amb10845654 [0,1,0,0,0,0|0,0,3]=4 16 B27R3.368466399 CC1(C)SC2[C@@H](NC(=O)[C@@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O Amb24121245 [0,1,0,0,0,0|0,0,2]=3 17 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O Amb15691269 [0,1,0,0,0,0|0,0,2]=3 18 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O Amb22352968 [0,1,0,0,0,0|0,0,2]=3 19 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O Amb33871669 [0,1,0,0,0,0|0,0,2]=3 20 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O Amb22583910 [0,1,0,0,0,0|0,0,2]=3 21 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O Amb6296727 [0,1,0,0,0,0|0,0,2]=3 22 B27R3.368466399 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] Amb8628705 [0,1,0,0,0,0|0,0,3]=4 23 B27R3.368466399 CC1(C)S[C@H]2C(C(=O)[C@H]2NC(=O)[C@@H](N)c3ccc(O)cc3)[C@H]1C(=O)O Amb29838261 [0,1,0,0,0,0|1,0,2]=4 24 B27R3.368466399 CC1(C)S[C@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@@H]1C(=O)O Amb34916634 [0,1,0,0,0,0|0,0,2]=3 25 B27R3.1233615266 C=NC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O)c3ccccc3 Amb24113714 [0,1,0,0,0,0|0,0,3]=4 26 B26R3.354953224 CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O[K] Amb4139793 [1,1,0,0,0,0|0,0,2]=4 27 B26R3.23654886 CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@@H]2SC1 Amb34915556 [0,0,1,1,0,0|0,0,2]=4 28 B26R3.23654886 CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1 Amb8385702 [0,0,1,1,0,0|0,0,2]=4 29 B24R3.1573074122 CC1(C)SC2C(NC(=O)Cc3ccsc3)C(=O)N2C1C(=O)O Amb32666253 [1,0,0,0,1,0|1,0,0]=3 30 B24R3.1573074122 CC1(C)SC2C(NC(=O)Cc3ccsc3)C(=O)N2C1C(=O)[O-] Amb32666237 [1,0,0,0,1,0|1,0,1]=4 31 B24R3.1573074122 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccsc3)C(=O)N2[C@H]1C(=O)O Amb32952890 [1,0,0,0,1,0|1,0,0]=3 32 B24R3.1573074122 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccsc3)C(=O)N2[C@H]1C(=O)[O-] Amb33172826 [1,0,0,0,1,0|1,0,1]=4