0  B27R3.368466829  CC1=C(N2C(=O)C(C2SC1)NC(=O)C([NH3+])C3=CC=C(C=C3)O)C(=O)[O-] Molport-039-344-774 [0,0,0,0,0,0|0,0,2]=2
1  B27R3.368466829  CC1=C(N2C(=O)[C@H](C2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O Molport-051-608-090 [0,0,0,0,0,0|0,0,0]=0
2  B26R3.23654886  CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=CC=C3)C(=O)O Molport-004-285-253 [1,0,0,0,0,0|0,0,0]=1
3  B26R3.23654886  CC1=C(N2C(=O)[C@@H](C2SC1)NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)[O-] Molport-002-915-702 [1,0,0,0,0,0|0,0,1]=2
4  B27R3.368466399  CC1(SC2C(C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C=C3)O)C Molport-035-813-638 [0,1,0,0,1,0|0,0,2]=4
5  B27R3.368466399  CC1(S[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)C(N)C3=CC=C(C=C3)O)C Molport-002-516-461 [0,1,0,0,1,0|0,0,2]=4
6  B27R3.368466399  CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C Molport-046-765-502 [0,1,0,0,1,0|0,0,2]=4
7  B27R3.368466399  CC1(S[C@@H]2[C@H](C(=O)N2[C@H]1C(=O)O)NC(=O)[C@@H](N)C3=CC=C(C=C3)O)C Molport-051-762-556 [0,1,0,0,1,0|0,0,2]=4
8  B29R3.60360606  C/C=C/C1=C(N2C(=O)[C@H]([C@@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O Molport-035-865-488 [0,2,0,0,0,0|0,0,0]=2
9  B29R3.60360606  C/C=C/C1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O Molport-002-885-813 [0,2,0,0,0,0|0,0,0]=2
10  B29R3.60360606  CC=CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O Molport-019-990-963 [0,2,0,0,0,0|0,0,0]=2