COc1cc([S@+](C)[O-])ccc1-c1nc2ncc(N)cc2[nH]1    mol15425    0_1
COc1cc([S@+](C)[O-])ccc1-c1nc2[nH+]cc(N)cc2[nH]1    mol15425    1_1
COc1cc([S@+](C)[O-])ccc1-c1[nH]c2cc(N)cnc2[nH+]1    mol15425    1_2
COc1cc([S@+](C)[O-])ccc1-c1nc2ncc([NH3+])cc2[nH]1    mol15425    1_3