pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Hunt	1	0	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccnc(N2CC[NH2+]CC2)c1Cl	O=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl	mol1985	O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl