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(Nc1c2ccccc2[nH+]c2ccccc21)c1ccccc1 ZINC000005390931 170093770 /nfs/dbraw/zinc/09/37/70/170093770.db2.gz ZXYQARLLWHRPJC-UHFFFAOYSA-N 1 2 298.345 4.640 1 10 CJCFLO