smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2nc2cc(NC(=O)CC[NH+]3CCCC3)ccc21 ZINC000013527897 561717391 /nfs/dbraw/zinc/71/73/91/561717391.db2.gz VDFQRFWWLKQVTR-UHFFFAOYSA-N 2 3 532.689 4.295 1 10 KICFHP