0  B18R2.324101  NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2OS(=O)(=O)O Molport-046-418-171 [0,0,0,0,0,0|0,0,0]=0
1  B18R2.324101  NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2OS(=O)(=O)[O-] Molport-044-560-856 [0,0,0,0,0,0|0,0,1]=1
2  B18R2.324101  NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2OS(=O)(=O)[O-] Molport-046-417-017 [0,0,0,0,0,0|0,0,1]=1
3  B18R2.324101  OC(=N)[C@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O Molport-051-762-496 [0,0,0,0,0,0|0,0,2]=2
4  B17R2.100606  [O-]S(=O)(=O)ON1[C@H]2CN(C1=O)[C@@H](CC2)C#N Molport-049-233-399 [1,0,0,0,0,0|0,0,3]=4
5  B19R2.865003  NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2OS(=O)(=O)O[Na] Molport-047-483-031 [0,1,0,0,0,0|0,0,0]=1
6  B19R2.865003  NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2OS(=O)(=O)O[Na] Molport-047-483-447 [0,1,0,0,0,0|0,0,0]=1
7  B19R2.5630214  CC1=CC2CN(C1C(=O)N)C(=O)N2OS(=O)(=O)[O-] Molport-051-974-032 [0,1,0,0,0,0|0,0,3]=4
8  B19R2.5630214  CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)[O-] Molport-051-526-868 [0,1,0,0,0,0|0,0,3]=4
9  B19R2.5630214  CC1=C[C@@H]2C[N@]([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)O Molport-051-521-029 [0,1,0,0,0,0|0,0,2]=3
10  B16R2.81110  [O-]S(=O)(=O)ON1[C@H]2CN(C1=O)[C@@H](CC2)F Molport-051-562-210 [2,0,0,0,0,0|1,0,1]=4
11  B18R2.865882  [Na]OS(=O)(=O)ON1[C@H]2C[N@@](C1=O)[C@@H](CC2)C#N Molport-051-482-007 [1,1,0,0,0,0|0,0,2]=4
12  B20R2.9939293  CC1=C[C@@H]2CN([C@@H]1C(=O)N)C(=O)N2OS(=O)(=O)O[Na] Molport-049-234-344 [0,2,0,0,0,0|0,0,2]=4