[O-]c1nc([O-])c2c(n1)[NH+](CCO)[C@@H](c1ccccc1)C(c1ccccc1)=[NH+]2    mol8145    0_1
[O-]c1nc(O)nc2c1N=C(c1ccccc1)[C@H](c1ccccc1)[NH+]2CCO    mol8145    0_2
OCCN1c2nc(O)nc(O)c2N=C(c2ccccc2)[C@@H]1c1ccccc1    mol8145    0_3
[O-]c1nc(O)nc2c1[NH+]=C(c1ccccc1)[C@H](c1ccccc1)N2CCO    mol8145    0_4
[O-]c1nc(O)c2c(n1)N(CCO)[C@@H](c1ccccc1)C(c1ccccc1)=[NH+]2    mol8145    0_5
[O-]c1nc(O)[nH+]c2c1N=C(c1ccccc1)[C@H](c1ccccc1)N2CCO    mol8145    0_6
[O-]c1nc(O)c2c(n1)[NH+](CCO)[C@@H](c1ccccc1)C(c1ccccc1)=N2    mol8145    0_7
OCC[NH+]1c2nc(O)nc(O)c2N=C(c2ccccc2)[C@@H]1c1ccccc1    mol8145    1_1
OCCN1c2[nH+]c(O)nc(O)c2N=C(c2ccccc2)[C@@H]1c1ccccc1    mol8145    1_2
[O-]c1nc(O)nc2c1[NH+]=C(c1ccccc1)[C@H](c1ccccc1)[NH+]2CCO    mol8145    1_3
[O-]c1nc(O)c2c(n1)[NH+](CCO)[C@@H](c1ccccc1)C(c1ccccc1)=[NH+]2    mol8145    1_4
[O-]c1nc(O)[nH+]c2c1[NH+]=C(c1ccccc1)[C@H](c1ccccc1)N2CCO    mol8145    1_5
OCCN1c2nc(O)[nH+]c(O)c2N=C(c2ccccc2)[C@@H]1c1ccccc1    mol8145    1_6
OCCN1c2nc(O)nc(O)c2[NH+]=C(c2ccccc2)[C@@H]1c1ccccc1    mol8145    1_7
[O-]c1nc(O)[nH+]c2c1N=C(c1ccccc1)[C@H](c1ccccc1)[NH+]2CCO    mol8145    1_8
[O-]c1nc([O-])c2c(n1)N(CCO)[C@@H](c1ccccc1)C(c1ccccc1)=[NH+]2    mol8145    -1_1
[O-]c1nc(O)nc2c1N=C(c1ccccc1)[C@H](c1ccccc1)N2CCO    mol8145    -1_2
[O-]c1nc([O-])c2c(n1)[NH+](CCO)[C@@H](c1ccccc1)C(c1ccccc1)=N2    mol8145    -1_3
[O-]c1nc(O)c2c(n1)N(CCO)[C@@H](c1ccccc1)C(c1ccccc1)=N2    mol8145    -1_4