pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79999995231628	QSARToolbox	2	1	CCSc1ccc2c(c1)N(CCC[NH+]1CC[NH+](C)CC1)c1ccccc1S2,CCSc1ccc2c(c1)[NH+](CCC[NH+]1CCN(C)CC1)c1ccccc1S2,CCSc1ccc2c(c1)[NH+](CCCN1CC[NH+](C)CC1)c1ccccc1S2	CCSc1ccc2c(c1)N(CCCN1CC[NH+](C)CC1)c1ccccc1S2,CCSc1ccc2c(c1)N(CCC[NH+]1CCN(C)CC1)c1ccccc1S2	mol38082	CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2