smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CCCCNCCC[NH2+]CCCC[NH2+]CC ZINC000013604289 170568614 /nfs/dbraw/zinc/56/86/14/170568614.db2.gz QRNOIWMNQISSJC-UHFFFAOYSA-N 3 3 272.481 1.335 1 0 CDAFHP