smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1[C@@H](Cl)C(=O)[O-] 259468448 573482295 /nfs/dbraw/zinc/48/22/95/573482295.db2.gz XHCINUVEOGZBAL-RXMQYKEDSA-N -1 0 190.651 2.421 10 50 AEGERM Cc1ccsc1[C@H](Cl)C(=O)[O-] 259468452 573487482 /nfs/dbraw/zinc/48/74/82/573487482.db2.gz XHCINUVEOGZBAL-YFKPBYRVSA-N -1 0 190.651 2.421 10 50 AEGERM