COc1cc([S@@+](C)[O-])ccc1-c1cn2ccncc2n1    mol14717    0_1
COc1cc([S@@+](C)[O-])ccc1-c1cn2cc[nH+]cc2n1    mol14717    1_1
COc1cc([S@@+](C)[O-])ccc1-c1cn2ccncc2[nH+]1    mol14717    1_2