COC1=C(C)C(=O)C(/C=C(\CCCCCc2cccnc2)C(=O)O)=C(C)C1=O    mol29985    0_1
COC1=C(C)C(=O)C(/C=C(\CCCCCc2ccc[nH+]c2)C(=O)[O-])=C(C)C1=O    mol29985    0_2
COC1=C(C)C(=[OH+])C(/C=C(\CCCCCc2cccnc2)C(=O)O)=C(C)C1=O    mol29985    1_1
COC1=C(C)C(=O)C(/C=C(\CCCCCc2cccnc2)C(O)=[OH+])=C(C)C1=O    mol29985    1_2
COC1=C(C)C(=O)C(/C=C(\CCCCCc2cccnc2)C(=O)O)=C(C)C1=[OH+]    mol29985    1_3
COC1=C(C)C(=O)C(/C=C(\CCCCCc2ccc[nH+]c2)C(=O)O)=C(C)C1=O    mol29985    1_4
[CH2-]C1=C(OC)C(=O)C(C)=C(/C=C(\CCCCCc2cccnc2)C(=O)O)C1=O    mol29985    -1_1
COC1=C(C)C(=O)C(/C=C(\CCCCCc2cccnc2)C(=O)[O-])=C(C)C1=O    mol29985    -1_2
[CH2-]C1=C(/C=C(\CCCCCc2cccnc2)C(=O)O)C(=O)C(C)=C(OC)C1=O    mol29985    -1_3