smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21 ZINC000005940422 170158846 /nfs/dbraw/zinc/15/88/46/170158846.db2.gz CAFAFONOMYEYHO-UHFFFAOYSA-N 2 1 296.330 3.057 1 10 CGCFMP