Nc1nc2ccc(Br)cc2n1CC1(CO)CCOCC1    SAMPL8-17    0_1
Nc1[nH+]c2ccc(Br)cc2n1CC1(CO)CCOCC1    SAMPL8-17    1_1
[NH3+]c1nc2ccc(Br)cc2n1CC1(CO)CCOCC1    SAMPL8-17    1_2