pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.28	Datawarrior	2	1	CON=C(C)CC(C)(C)[NH2+]CC[NH2+]C(C)(C)CC(C)=NO	CON=C(C)CC(C)(C)[NH2+]CCNC(C)(C)CC(C)=NO,CON=C(C)CC(C)(C)NCC[NH2+]C(C)(C)CC(C)=NO	mol15360	CON=C(C)CC(C)(C)NCCNC(C)(C)CC(C)=NO
6.2800002	OCHEM	2	1	CON=C(C)CC(C)(C)[NH2+]CC[NH2+]C(C)(C)CC(C)=NO	CON=C(C)CC(C)(C)[NH2+]CCNC(C)(C)CC(C)=NO,CON=C(C)CC(C)(C)NCC[NH2+]C(C)(C)CC(C)=NO	mol15360	CON=C(C)CC(C)(C)NCCNC(C)(C)CC(C)=NO