smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1O[C@H](c2c(=O)[nH]c(=S)n(C3CCCCC3)c2O)c2ccccc21 ZINC000101337405 222269788 /nfs/dbraw/zinc/26/97/88/222269788.db2.gz MLTGSSHWAKZJJP-AWEZNQCLSA-N -2 2 358.419 3.376 50 0 FGAALL