0  B16R2.671719  C12CC(=O)N1C(C(S2(=O)=O)(C)C)C(=O)O MCULE-5989515572 [0,0,0,0,0,0|0,0,0]=0
1  B16R2.671719  CC1(C(C2C(=O)CC2S1(=O)=O)C(=O)[O-])C MCULE-4425028244 [0,0,0,0,0,0|1,0,1]=2
2  B16R2.671719  CC1(C(C2C(=O)CC2S1(=O)=O)C(=O)[O-])C MCULE-5863041259 [0,0,0,0,0,0|1,0,1]=2
3  B16R2.671719  CC1(C(N2C(=O)CC2S1(=O)=O)C(=O)[O-])C MCULE-8130919338 [0,0,0,0,0,0|0,0,1]=1
4  B16R2.671719  CC1([C@@H](N2C(=O)CC2S1(=O)=O)C(=O)O)C MCULE-6900810569 [0,0,0,0,0,0|0,0,0]=0
5  B16R2.671719  CC1([C@@H](N2C(=O)CC2S1(=O)=O)C(=O)[O-])C MCULE-2325548984 [0,0,0,0,0,0|0,0,1]=1
6  B16R2.671719  [C@@H]12CC(=O)N1[C@H](C(S2(=O)=O)(C)C)C(=O)O MCULE-7815633749 [0,0,0,0,0,0|0,0,0]=0
7  B16R2.671719  [C@@H]12CC(=O)N1[C@H](C(S2(=O)=O)(C)C)C(=O)O MCULE-8384465258 [0,0,0,0,0,0|0,0,0]=0
8  B16R2.671719  [C@@H]12CC(=O)N1[C@H](C(S2(=O)=O)(C)C)C(=O)[O-] MCULE-6865432074 [0,0,0,0,0,0|0,0,1]=1
9  B16R2.671719  [C@@H]12CC(=O)N1[C@H](C(S2(=O)=O)(C)C)C(=O)[O-] MCULE-8029765332 [0,0,0,0,0,0|0,0,1]=1
10  B18R2.1616538  [C@@H]12CC(=O)N1[C@H](C(S2(=O)=O)(C)C)C(=O)OCI MCULE-9815964642 [0,2,0,0,0,0|0,0,0]=2
11  B18R2.5437878  CC1(C(N2C(=O)C(C2S1(=O)=O)(Br)Br)C(=O)[O-])C MCULE-1446453031 [0,2,0,0,0,0|0,0,1]=3
12  B18R2.5437878  CC1(C(N2C(=O)C(C2S1(=O)=O)(Br)Br)C(=O)[O-])C MCULE-3363901218 [0,2,0,0,0,0|0,0,1]=3
13  B18R2.5437878  CC1([C@@H](N2C(=O)C(C2S1(=O)=O)(Br)Br)C(=O)[O-])C MCULE-3779319794 [0,2,0,0,0,0|0,0,1]=3
14  B18R2.5437878  CC1([C@@H](N2C(=O)C(C2S1(=O)=O)(Br)Br)C(=O)[O-])C MCULE-6853588073 [0,2,0,0,0,0|0,0,1]=3
15  B18R2.5437878  CC1([C@@H](N2C(=O)C([C@H]2S1(=O)=O)(Br)Br)C(=O)O)C MCULE-2319022047 [0,2,0,0,0,0|0,0,0]=2
16  B14R0.1420  CN(C)S(=O)(=O)NCC(=O)NCC(=O)O MCULE-2667370333 [0,0,2,0,0,0|2,0,0]=4
17  B14R0.399  CC(C)C(NC(=O)CCC(=O)O)C(=O)O MCULE-1023993604 [0,0,2,0,0,0|1,0,1]=4