C[C@@H](CCCCCOCCc1ccccc1)[NH2+]CCc1ccc(O)c2nc([O-])sc12    mol31991    0_1
C[C@@H](CCCCCOCCc1ccccc1)NCCc1ccc([O-])c2[nH+]c(O)sc12    mol31991    0_2
C[C@@H](CCCCCOCCc1ccccc1)NCCc1ccc(O)c2nc(O)sc12    mol31991    0_3
C[C@@H](CCCCCOCCc1ccccc1)[NH2+]CCc1ccc([O-])c2nc(O)sc12    mol31991    0_4
C[C@@H](CCCCCOCCc1ccccc1)NCCc1ccc(O)c2nc([OH2+])sc12    mol31991    1_1
C[C@@H](CCCCCOCCc1ccccc1)NCCc1ccc(O)c2[nH+]c(O)sc12    mol31991    1_2
C[C@@H](CCCCCOCCc1ccccc1)[NH2+]CCc1ccc([O-])c2[nH+]c(O)sc12    mol31991    1_3
C[C@@H](CCCCCOCCc1ccccc1)[NH2+]CCc1ccc(O)c2nc(O)sc12    mol31991    1_4