pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.78	Baltruschat ChEMBL	2	1	N=C(NCCCCCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1)NC(=[NH2+])Nc1ccc(Cl)cc1,N=C(NCCCCCCNC(=N)NC(=[NH2+])Nc1ccc(Cl)cc1)NC(=[NH2+])Nc1ccc(Cl)cc1,N=C(NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1	N=C(NCCCCCCNC(=N)NC(=[NH2+])Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,N=C(NCCCCCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1	mol17893	N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1