smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=CNc2ncnc3[nH]cnc32)C(=O)N1 ZINC000584637616 373660355 /nfs/dbraw/zinc/66/03/55/373660355.db2.gz PQENTKMQOHLDTF-UHFFFAOYSA-N 0 1 273.212 -1.034 10 10 CACEMN