CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)O)n2n1    euroSAMPL-21    0_1
CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)[O-])n2[nH+]1    euroSAMPL-21    0_2
CC(C)(C)c1cc2[nH+]c(C3CC3)cc(C(=O)[O-])n2n1    euroSAMPL-21    0_3
CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)[O-])n2n1    euroSAMPL-21    -1_1