0 B26R3.529849969 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O Amb6887773 [0,0,0,0,0,0|0,0,0]=0 1 B26R3.529849969 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-] Amb9786387 [0,0,0,0,0,0|0,0,1]=1 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|0,0,0]=0 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|0,0,0]=0 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|0,0,0]=0 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|0,0,1]=1 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|1,0,0]=1 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|0,0,0]=0 8 B25R3.529931862 CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O Amb10845073 [1,0,0,0,0,0|0,0,0]=1 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|0,0,0]=1 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|0,0,0]=1 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|0,0,1]=2 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|0,0,1]=2 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|0,0,1]=2 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|0,0,0]=1 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|0,0,1]=2 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|0,0,0]=1 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|0,0,0]=1 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|0,0,0]=1 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|0,0,0]=1 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|0,0,0]=1 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|0,0,0]=1 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|0,0,1]=2 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|1,0,0]=2 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|0,0,0]=1 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|0,0,1]=2 26 B26R3.354953224 CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O[K] Amb4139793 [1,1,0,0,0,0|0,0,0]=2 27 B28R3.5155356400 CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-] Amb536754 [0,2,0,0,0,0|1,0,1]=4 28 B28R3.5155356400 CC1(C)S[C@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-] Amb34915672 [0,2,0,0,0,0|1,0,1]=4 29 B26R3.23654886 CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1 Amb9786236 [0,0,1,1,0,0|0,0,2]=4 30 B26R3.23654886 CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2SC1 Amb34915417 [0,0,1,1,0,0|0,0,2]=4 31 B26R3.23654886 CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 Amb22735249 [0,0,1,1,0,0|0,0,2]=4 32 B26R3.23654886 CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 Amb533614 [0,0,1,1,0,0|0,0,2]=4 33 B24R3.1573074122 CC1(C)SC2C(NC(=O)Cc3ccsc3)C(=O)N2C1C(=O)O Amb32666253 [1,0,0,0,1,0|1,0,0]=3 34 B24R3.1573074122 CC1(C)SC2C(NC(=O)Cc3ccsc3)C(=O)N2C1C(=O)[O-] Amb32666237 [1,0,0,0,1,0|1,0,1]=4 35 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 36 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 37 B26R3.529849978 CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)[O-] Amb22369869 [1,0,0,0,0,1|0,0,1]=3