COc1ccc2c(c1)[nH]c1c(C)nccc12    mol5187    0_1
COc1ccc2c(c1)[nH]c1c(C)[nH+]ccc12    mol5187    1_1
COc1ccc2c(c1)[n-]c1c(C)nccc12    mol5187    -1_1