pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	OCHEM	1	0	Cc1cc2c(s1)=[NH+]c1ccccc1NC=2N1CCN(C)CC1,Cc1cc2c(s1)=Nc1ccccc1NC=2N1CC[NH+](C)CC1	Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCN(C)CC1	mol31661	Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCN(C)CC1
5.44	OCHEM	2	1	Cc1cc2c(s1)=[NH+]c1ccccc1NC=2N1CC[NH+](C)CC1	Cc1cc2c(s1)=[NH+]c1ccccc1NC=2N1CCN(C)CC1,Cc1cc2c(s1)=Nc1ccccc1NC=2N1CC[NH+](C)CC1	mol31661	Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCN(C)CC1