smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CC[NH2+]CC2)cc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000217678360 542878241 /nfs/dbraw/zinc/87/82/41/542878241.db2.gz AFAZWWOQHOKBBY-UHFFFAOYSA-N 2 1 303.797 2.592 40 70 DFIBMP