pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Datawarrior	1	0	Cc1c2ccncc2cc2c1[nH]c1cc[nH+]cc12,Cc1c2cc[nH+]cc2cc2c1[nH]c1ccncc12	Cc1c2ccncc2cc2c1[nH]c1ccncc12	mol14896	Cc1c2ccncc2cc2c1[nH]c1ccncc12
5.3	Datawarrior	2	1	Cc1c2cc[nH+]cc2cc2c1[nH]c1cc[nH+]cc12	Cc1c2ccncc2cc2c1[nH]c1cc[nH+]cc12,Cc1c2cc[nH+]cc2cc2c1[nH]c1ccncc12	mol14896	Cc1c2ccncc2cc2c1[nH]c1ccncc12
5.30000019073486	QSARToolbox	2	1	Cc1c2cc[nH+]cc2cc2c1[nH]c1cc[nH+]cc12	Cc1c2ccncc2cc2c1[nH]c1cc[nH+]cc12,Cc1c2cc[nH+]cc2cc2c1[nH]c1ccncc12	mol14896	Cc1c2ccncc2cc2c1[nH]c1ccncc12