smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000218411161 557197649 /nfs/dbraw/zinc/19/76/49/557197649.db2.gz LVVMAXXEEUFNRD-UHFFFAOYSA-N 0 1 436.533 5.061 40 70 IKIBMN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)cc1 ZINC000218212590 557182523 /nfs/dbraw/zinc/18/25/23/557182523.db2.gz PICAETDMPWNKKJ-UHFFFAOYSA-N 0 1 431.605 5.291 40 70 IKIBMN