0  B32R4.484964248  O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc3nnc(s3)C)Cn4cnnn4 1P007NLX [0,0,0,0,0,0|0,0,0]=0
1  B32R4.484964248  O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc3nnc(s3)C)Cn4cnnn4 1P003P6X [0,0,0,0,0,0|0,0,1]=1
2  B32R4.484964248  O=[13C](N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc3nnc(s3)C)[13CH2][15n]4cnnn4 1P01EQOO [0,0,0,0,0,0|0,0,0]=0
3  B31R4.1478806211  O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc3nncs3)Cn4cnnn4 1P00BJJL [1,0,0,0,0,0|0,0,0]=1
4  B31R4.1478806211  O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc3nncs3)Cn4cnnn4 1P019GBD [1,0,0,0,0,0|0,0,1]=2