smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc([O-])c2-c2nn(CC[NH2+]CCO)c3ccc(NCC[NH2+]CCO)c1c32 ZINC000026570312 563033254 /nfs/dbraw/zinc/03/32/54/563033254.db2.gz BADCEXHXUGYIDD-UHFFFAOYSA-N 1 3 425.489 0.529 1 10 ICCFHO