pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	0	-1	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NN(c3ccccc3)[S@+]([O-])N2)cc1	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NN(c3ccccc3)[S@+]([O-])[N-]2)cc1	mol19277	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NN(c3ccccc3)[S+]([O-])N2)cc1