smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(Sc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005594129 563330212 /nfs/dbraw/zinc/33/02/12/563330212.db2.gz JYBPGFSVVDVWIC-UHFFFAOYSA-N 1 2 302.402 5.121 40 5 DKBBLO