pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.94	Baltruschat ChEMBL	0	-1	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[n-]ccc23)cn1	mol20869	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1