Cc1[nH+]c2cc([O-])ccc2s1    SAMPL8-23    0_1
Cc1nc2cc(O)ccc2s1    SAMPL8-23    0_2
Cc1[nH+]c2cc(O)ccc2s1    SAMPL8-23    1_1
Cc1nc2cc([O-])ccc2s1    SAMPL8-23    -1_1