0  B21R2.48541607  CC(O)C1C(=O)N2C1CC(=C2C(=O)O)SCC/N=C/N MCULE-1479253426 [0,0,0,0,0,0|0,0,0]=0
1  B21R2.48541607  [C@@H]1(C(=O)N2[C@@H]1CC(=C2C(=O)O)SCCNC=N)[C@@H](C)O MCULE-1747434243 [0,0,0,0,0,0|0,0,2]=2
2  B21R2.48541607  [C@H]12CC(=C(N1C(=O)[C@@H]2[C@@H](C)O)C(=O)O)SCCNC=N MCULE-8318861249 [0,0,0,0,0,0|0,0,2]=2
3  B20R2.18257686  [C@H]12SC(=C(N1C(=O)[C@@H]2[C@@H](C)O)C(=O)O)SCCCN MCULE-3422318526 [1,0,0,0,0,0|1,0,1]=3
4  B22R2.23575835  CC(O)C1C(=O)N2C1SC(=C2C(=O)[O-])SCCOC(=O)N MCULE-1438835505 [0,1,0,0,0,0|2,0,1]=4
5  B22R2.23575835  CC(O)C1C(=O)N2C1SC(=C2C(=O)[O-])SCCOC(=O)N MCULE-7715790559 [0,1,0,0,0,0|2,0,1]=4
6  B22R2.93924019  [C@H]12CC(=C(N1C(=O)[C@@H]2[C@@H](C)O)OC(=O)O)SCCNC=N MCULE-9989875608 [0,0,0,0,0,1|0,0,2]=3
7  B21R1.397363  CC(O)C(C(=O)O)C1CC(C(=N1)C(=O)O)SCC/N=C/N MCULE-5912503703 [0,1,1,0,0,0|0,0,2]=4