pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.40000009536743	QSARToolbox	5	4	[NH3+]CCCCN1CCNCC[NH+](Cc2ccc(CN3CCNCC[NH+](CCCC[NH3+])CC[NH2+]CC3)cc2)CCNCC1,NCCCCN1CC[NH2+]CCN(Cc2ccc(C[NH+]3CC[NH2+]CCN(CCCCN)CC[NH2+]CC3)cc2)CC[NH2+]CC1,NCCCCN1CCNCC[NH+](Cc2ccc(CN3CCNCC[NH+](CCCC[NH3+])CC[NH2+]CC3)cc2)CC[NH2+]CC1,NCCCCN1CC[NH2+]CC[NH+](Cc2ccc(C[NH+]3CCNCC[NH+](CCCCN)CCNCC3)cc2)CC[NH2+]CC1,NCCCC[NH+]1CCNCCN(Cc2ccc(C[NH+]3CC[NH2+]CCN(CCCC[NH3+])CC[NH2+]CC3)cc2)CCNCC1	[NH3+]CCCCN1CCNCC[NH+](Cc2ccc(CN3CCNCCN(CCCC[NH3+])CC[NH2+]CC3)cc2)CCNCC1,NCCCC[NH+]1CCNCC[NH+](Cc2ccc(C[NH+]3CCNCCN(CCCC[NH3+])CCNCC3)cc2)CCNCC1,NCCCC[NH+]1CCNCC[NH+](Cc2ccc(CN3CCNCCN(CCCC[NH3+])CCNCC3)cc2)CC[NH2+]CC1,NCCCCN1CC[NH2+]CCN(Cc2ccc(CN3CCNCC[NH+](CCCC[NH3+])CCNCC3)cc2)CC[NH2+]CC1,NCCCC[NH+]1CCNCCN(Cc2ccc(CN3CCNCC[NH+](CCCC[NH3+])CCNCC3)cc2)CC[NH2+]CC1	mol38331	NCCCCN1CCNCCN(Cc2ccc(CN3CCNCCN(CCCCN)CCNCC3)cc2)CCNCC1