COc1cc([S@@+](C)[O-])ccc1-c1nc2[nH]ncc2[nH]1    mol15525    0_1
COc1cc([S@@+](C)[O-])ccc1-c1[nH]c2cn[nH]c2[nH+]1    mol15525    1_1
COc1cc([S@@+](C)[O-])ccc1-c1nc2[nH][nH+]cc2[nH]1    mol15525    1_2
COc1cc([S@@+](C)[O-])ccc1-c1nc2[nH]ncc2[n-]1    mol15525    -1_1
COc1cc([S@@+](C)[O-])ccc1-c1nc2[n-]ncc2[nH]1    mol15525    -1_2